 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895374/Gau-9679.inp" -scrdir="/scratch/9895374/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9680.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=17_camphor_STD_B3LYPDBJ-def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=CarbonTetraChloride)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=11,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=11,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 20:01:05 2022, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.910316000000     -0.253311000000      0.424535000000
  C                                                -0.289079000000     -0.501719000000     -0.549394000000
  C                                                -0.059667000000      0.599997000000     -1.630032000000
  C                                                 0.585651000000      1.778272000000     -0.851006000000
  C                                                 0.592630000000      1.261466000000      0.600157000000
  C                                                -1.439834000000      0.064476000000      0.275892000000
  C                                                -0.872137000000      1.244025000000      1.064505000000
  C                                                -0.521043000000     -1.891627000000     -1.090393000000
  O                                                -2.581040000000     -0.329806000000      0.295933000000
  C                                                 2.280950000000     -0.526570000000     -0.193981000000
  C                                                 0.812755000000     -1.064712000000      1.719984000000
  H                                                 0.602880000000      0.210099000000     -2.402500000000
  H                                                -0.993630000000      0.874775000000     -2.120721000000
  H                                                 0.012163000000      2.700552000000     -0.942647000000
  H                                                 1.592648000000      1.988413000000     -1.208229000000
  H                                                -0.987358000000      1.054645000000      2.132193000000
  H                                                -1.420572000000      2.158925000000      0.835614000000
  H                                                 1.267510000000      1.795909000000      1.267576000000
  H                                                -1.412768000000     -1.913445000000     -1.718472000000
  H                                                -0.671544000000     -2.611393000000     -0.284485000000
  H                                                 0.327008000000     -2.221321000000     -1.692751000000
  H                                                 2.436592000000     -0.024649000000     -1.146186000000
  H                                                 2.419031000000     -1.596862000000     -0.357213000000
  H                                                 3.067254000000     -0.194998000000      0.488260000000
  H                                                -0.166885000000     -1.013617000000      2.193865000000
  H                                                 1.551601000000     -0.712710000000      2.443098000000
  H                                                 1.021142000000     -2.117665000000      1.523545000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Mar 16 20:01:05 2022, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.910316   -0.253311    0.424535
      2          6           0       -0.289079   -0.501719   -0.549394
      3          6           0       -0.059667    0.599997   -1.630032
      4          6           0        0.585651    1.778272   -0.851006
      5          6           0        0.592630    1.261466    0.600157
      6          6           0       -1.439834    0.064476    0.275892
      7          6           0       -0.872137    1.244025    1.064505
      8          6           0       -0.521043   -1.891627   -1.090393
      9          8           0       -2.581040   -0.329806    0.295933
     10          6           0        2.280950   -0.526570   -0.193981
     11          6           0        0.812755   -1.064712    1.719984
     12          1           0        0.602880    0.210099   -2.402500
     13          1           0       -0.993630    0.874775   -2.120721
     14          1           0        0.012163    2.700552   -0.942647
     15          1           0        1.592648    1.988413   -1.208229
     16          1           0       -0.987358    1.054645    2.132193
     17          1           0       -1.420572    2.158925    0.835614
     18          1           0        1.267510    1.795909    1.267576
     19          1           0       -1.412768   -1.913445   -1.718472
     20          1           0       -0.671544   -2.611393   -0.284485
     21          1           0        0.327008   -2.221321   -1.692751
     22          1           0        2.436592   -0.024649   -1.146186
     23          1           0        2.419031   -1.596862   -0.357213
     24          1           0        3.067254   -0.194998    0.488260
     25          1           0       -0.166885   -1.013617    2.193865
     26          1           0        1.551601   -0.712710    2.443098
     27          1           0        1.021142   -2.117665    1.523545
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564862   0.000000
     3  C    2.426983   1.560188   0.000000
     4  C    2.420690   2.460586   1.552948   0.000000
     5  C    1.557664   2.282038   2.415942   1.540458   0.000000
     6  C    2.376192   1.525094   2.413336   2.882635   2.380933
     7  C    2.414273   2.447907   2.887111   2.465715   1.536706
     8  C    2.651014   1.509414   2.590805   3.840604   3.747028
     9  O    3.494561   2.448922   3.306236   3.973335   3.563268
    10  C    1.528355   2.594607   2.968145   2.935646   2.584212
    11  C    1.531691   2.584778   3.841222   3.839808   2.591056
    12  H    2.881214   2.176299   1.089815   2.206036   3.181419
    13  H    3.372820   2.204585   1.090214   2.218696   3.173157
    14  H    3.376562   3.240360   2.211332   1.089902   2.188185
    15  H    2.856015   3.189940   2.199037   1.088949   2.190604
    16  H    2.868451   3.178171   3.901494   3.449271   2.210491
    17  H    3.379483   3.205862   3.218964   2.648493   2.216722
    18  H    2.244462   3.317144   3.404076   2.225676   1.089284
    19  H    3.570048   2.149975   2.855888   4.286601   4.413357
    20  H    2.926695   2.160366   3.535239   4.601157   4.168904
    21  H    2.948934   2.154962   2.848383   4.095385   4.178252
    22  H    2.202038   2.830731   2.618320   2.600700   2.846753
    23  H    2.166213   2.927479   3.548267   3.872550   3.524534
    24  H    2.158667   3.526439   3.859639   3.441770   2.873599
    25  H    2.206571   2.793285   4.151799   4.199071   2.879717
    26  H    2.167231   3.519606   4.572720   4.241364   2.865908
    27  H    2.167007   2.936841   4.301033   4.583282   3.529135
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.528243   0.000000
     8  C    2.556805   3.820885   0.000000
     9  O    1.207564   2.447038   2.933389   0.000000
    10  C    3.796623   3.828936   3.243162   4.890570   0.000000
    11  C    2.904242   2.932368   3.218855   3.753112   2.471529
    12  H    3.371598   3.907020   2.720676   4.208371   2.869870
    13  H    2.568937   3.208858   2.989631   3.132268   4.049564
    14  H    3.246849   2.632891   4.625391   4.176344   4.015247
    15  H    3.885884   3.434326   4.419987   5.005628   2.797785
    16  H    2.151981   1.090458   4.391245   2.797924   4.311979
    17  H    2.168035   1.090969   4.574454   2.798522   4.687560
    18  H    3.363184   2.218987   4.728304   4.502676   2.925255
    19  H    2.808984   4.243449   1.090932   2.816132   4.229781
    20  H    2.839818   4.089530   1.090963   3.031287   3.615508
    21  H    3.496020   4.587922   1.091203   3.998679   2.989378
    22  H    4.130003   4.176647   3.498046   5.229671   1.087586
    23  H    4.248730   4.574244   3.044417   5.199302   1.091438
    24  H    4.519543   4.233397   4.271600   5.653175   1.092551
    25  H    2.541910   2.621027   3.417994   3.146091   3.454116
    26  H    3.774849   3.406440   4.262776   4.672864   2.742405
    27  H    3.517781   3.885381   3.043370   4.204662   2.658683
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320193   0.000000
    13  H    4.666439   1.752152   0.000000
    14  H    4.680573   2.946604   2.394356   0.000000
    15  H    4.301655   2.359730   2.960011   1.753741   0.000000
    16  H    2.811049   4.879094   4.256721   3.628043   4.322820
    17  H    4.020161   4.286918   3.251344   2.346977   3.644978
    18  H    2.931660   4.052898   4.176338   2.698029   2.504473
    19  H    4.182855   3.006688   2.848096   4.890941   4.951502
    20  H    2.934836   3.751128   3.953336   5.396053   5.209423
    21  H    3.635994   2.547872   3.393089   4.988649   4.422496
    22  H    3.454491   2.235158   3.677649   3.653218   2.183692
    23  H    2.679189   3.278218   4.567845   4.960193   3.776418
    24  H    2.712252   3.820175   4.943883   4.445817   3.133659
    25  H    1.089435   4.818360   4.781755   4.864650   4.866455
    26  H    1.092105   5.023093   5.461387   5.048118   4.542019
    27  H    1.091203   4.583368   5.127834   5.505938   4.964784
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757335   0.000000
    18  H    2.526156   2.746663   0.000000
    19  H    4.880384   4.807038   5.464401   0.000000
    20  H    4.402261   4.956975   5.058966   1.758654   0.000000
    21  H    5.204777   5.351002   5.078013   1.766995   1.769880
    22  H    4.861695   4.855228   3.241517   4.325810   4.134523
    23  H    4.983083   5.501938   3.934061   4.078717   3.253647
    24  H    4.550165   5.079586   2.794660   5.281413   4.518264
    25  H    2.225913   3.671730   3.287695   4.203367   2.991620
    26  H    3.109103   4.434423   2.784911   5.248611   3.998385
    27  H    3.803692   4.972367   3.929666   4.059101   2.525456
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.094260   0.000000
    23  H    2.559330   1.759159   0.000000
    24  H    4.046201   1.760161   1.760750   0.000000
    25  H    4.099788   4.348803   3.679013   3.746849   0.000000
    26  H    4.569549   3.760266   3.062009   2.527177   1.762344
    27  H    3.291979   3.675823   2.400537   2.992497   1.754896
                   26         27
    26  H    0.000000
    27  H    1.760927   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.73D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.910316   -0.253311    0.424535
      2          6           0       -0.289079   -0.501719   -0.549394
      3          6           0       -0.059667    0.599997   -1.630032
      4          6           0        0.585650    1.778272   -0.851006
      5          6           0        0.592629    1.261466    0.600157
      6          6           0       -1.439834    0.064476    0.275892
      7          6           0       -0.872138    1.244025    1.064505
      8          6           0       -0.521042   -1.891627   -1.090393
      9          8           0       -2.581040   -0.329807    0.295933
     10          6           0        2.280950   -0.526569   -0.193981
     11          6           0        0.812755   -1.064712    1.719984
     12          1           0        0.602880    0.210099   -2.402500
     13          1           0       -0.993630    0.874775   -2.120721
     14          1           0        0.012162    2.700552   -0.942647
     15          1           0        1.592647    1.988414   -1.208229
     16          1           0       -0.987358    1.054645    2.132193
     17          1           0       -1.420573    2.158925    0.835614
     18          1           0        1.267509    1.795910    1.267576
     19          1           0       -1.412767   -1.913445   -1.718472
     20          1           0       -0.671543   -2.611393   -0.284485
     21          1           0        0.327009   -2.221321   -1.692751
     22          1           0        2.436592   -0.024648   -1.146186
     23          1           0        2.419032   -1.596861   -0.357213
     24          1           0        3.067254   -0.194997    0.488260
     25          1           0       -0.166885   -1.013617    2.193865
     26          1           0        1.551601   -0.712709    2.443098
     27          1           0        1.021143   -2.117664    1.523545
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4526652           1.1851593           1.0990374
 Leave Link  202 at Wed Mar 16 20:01:05 2022, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.2147239436 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0542598652 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1604640785 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   27.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : CarbonTetraChloride, Eps=   2.228000 Eps(inf)=   2.131892
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      27
 GePol: Total number of spheres                      =      27
 GePol: Number of exposed spheres                    =      27 (100.00%)
 GePol: Number of points                             =    1708
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.28D-10
 GePol: Maximum weight of points                     =    0.20577
 GePol: Number of points with low weight             =     119
 GePol: Fraction of low-weight points (<1% of avg)   =       6.97%
 GePol: Cavity surface area                          =    224.817 Ang**2
 GePol: Cavity volume                                =    242.585 Ang**3
 Leave Link  301 at Wed Mar 16 20:01:06 2022, MaxMem=  6442450944 cpu:               5.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  6.43D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Wed Mar 16 20:01:06 2022, MaxMem=  6442450944 cpu:               4.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 20:01:06 2022, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 20:01:07 2022, MaxMem=  6442450944 cpu:               3.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442165951 LenY=  6442026381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8751792.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.00D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.53D-15 for   1672    854.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.22D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.06D-15 for    840    732.
 E= -465.669076054788    
 DIIS: error= 3.01D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.669076054788     IErMin= 1 ErrMin= 3.01D-03
 ErrMax= 3.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.47D-03 BMatP= 8.47D-03
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.01D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.72D-02 MaxDP=2.49D+00              OVMax= 1.82D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.38D-02    CP:  1.38D+00
 E= -465.676200234627     Delta-E=       -0.007124179839 Rises=F Damp=F
 DIIS: error= 9.02D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.676200234627     IErMin= 2 ErrMin= 9.02D-04
 ErrMax= 9.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-04 BMatP= 8.47D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.02D-03
 Coeff-Com:  0.344D-01 0.966D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.341D-01 0.966D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=8.03D-04 MaxDP=1.30D-01 DE=-7.12D-03 OVMax= 7.99D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.13D-04    CP:  1.40D+00  1.04D+00
 E= -465.675951564922     Delta-E=        0.000248669705 Rises=F Damp=F
 DIIS: error= 1.22D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.676200234627     IErMin= 2 ErrMin= 9.02D-04
 ErrMax= 1.22D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.24D-04 BMatP= 2.64D-04
 IDIUse=3 WtCom= 2.22D-01 WtEn= 7.78D-01
 Coeff-Com: -0.128D-01 0.614D+00 0.398D+00
 Coeff-En:   0.000D+00 0.655D+00 0.345D+00
 Coeff:     -0.284D-02 0.646D+00 0.357D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.21D-04 MaxDP=9.89D-03 DE= 2.49D-04 OVMax= 5.10D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.63D-05    CP:  1.40D+00  1.04D+00  7.84D-01
 E= -465.676421136858     Delta-E=       -0.000469571935 Rises=F Damp=F
 DIIS: error= 1.42D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.676421136858     IErMin= 4 ErrMin= 1.42D-04
 ErrMax= 1.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-05 BMatP= 2.64D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.42D-03
 Coeff-Com: -0.913D-02 0.328D+00 0.202D+00 0.479D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.912D-02 0.328D+00 0.202D+00 0.480D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=5.86D-05 MaxDP=7.56D-03 DE=-4.70D-04 OVMax= 6.41D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.15D-05    CP:  1.40D+00  1.04D+00  7.00D-01  1.10D+00
 E= -465.676434852507     Delta-E=       -0.000013715649 Rises=F Damp=F
 DIIS: error= 3.40D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.676434852507     IErMin= 5 ErrMin= 3.40D-05
 ErrMax= 3.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.64D-07 BMatP= 1.41D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.222D-02 0.510D-01 0.331D-01 0.189D+00 0.730D+00
 Coeff:     -0.222D-02 0.510D-01 0.331D-01 0.189D+00 0.730D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.32D-05 MaxDP=2.38D-03 DE=-1.37D-05 OVMax= 1.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.27D-05    CP:  1.40D+00  1.04D+00  7.17D-01  1.10D+00  7.18D-01
 E= -465.676435399740     Delta-E=       -0.000000547233 Rises=F Damp=F
 DIIS: error= 1.00D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.676435399740     IErMin= 6 ErrMin= 1.00D-05
 ErrMax= 1.00D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-07 BMatP= 6.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.510D-03 0.280D-02 0.348D-02 0.616D-01 0.388D+00 0.545D+00
 Coeff:     -0.510D-03 0.280D-02 0.348D-02 0.616D-01 0.388D+00 0.545D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=5.00D-06 MaxDP=3.41D-04 DE=-5.47D-07 OVMax= 6.45D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.85D-06    CP:  1.40D+00  1.04D+00  7.18D-01  1.10D+00  7.77D-01
                    CP:  7.61D-01
 E= -465.676435515665     Delta-E=       -0.000000115924 Rises=F Damp=F
 DIIS: error= 2.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.676435515665     IErMin= 7 ErrMin= 2.00D-06
 ErrMax= 2.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-09 BMatP= 1.30D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.798D-04-0.185D-02-0.462D-03 0.125D-01 0.112D+00 0.235D+00
 Coeff-Com:  0.643D+00
 Coeff:     -0.798D-04-0.185D-02-0.462D-03 0.125D-01 0.112D+00 0.235D+00
 Coeff:      0.643D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.24D-06 MaxDP=8.63D-05 DE=-1.16D-07 OVMax= 1.32D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.44D-07    CP:  1.40D+00  1.04D+00  7.18D-01  1.11D+00  7.93D-01
                    CP:  7.46D-01  7.85D-01
 E= -465.676435520179     Delta-E=       -0.000000004515 Rises=F Damp=F
 DIIS: error= 4.58D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.676435520179     IErMin= 8 ErrMin= 4.58D-07
 ErrMax= 4.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-10 BMatP= 4.71D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-05-0.828D-03-0.342D-03 0.111D-02 0.207D-01 0.564D-01
 Coeff-Com:  0.217D+00 0.706D+00
 Coeff:     -0.179D-05-0.828D-03-0.342D-03 0.111D-02 0.207D-01 0.564D-01
 Coeff:      0.217D+00 0.706D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.65D-07 MaxDP=2.78D-05 DE=-4.51D-09 OVMax= 3.03D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.73D-07    CP:  1.40D+00  1.04D+00  7.18D-01  1.11D+00  7.92D-01
                    CP:  7.51D-01  8.16D-01  8.74D-01
 E= -465.676435520277     Delta-E=       -0.000000000098 Rises=F Damp=F
 DIIS: error= 2.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.676435520277     IErMin= 9 ErrMin= 2.17D-07
 ErrMax= 2.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.70D-11 BMatP= 1.45D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.515D-05-0.208D-03-0.100D-03-0.575D-03 0.226D-03 0.695D-02
 Coeff-Com:  0.491D-01 0.373D+00 0.572D+00
 Coeff:      0.515D-05-0.208D-03-0.100D-03-0.575D-03 0.226D-03 0.695D-02
 Coeff:      0.491D-01 0.373D+00 0.572D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=7.85D-08 MaxDP=9.31D-06 DE=-9.80D-11 OVMax= 1.07D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.68D-08    CP:  1.40D+00  1.04D+00  7.18D-01  1.11D+00  7.92D-01
                    CP:  7.53D-01  8.12D-01  8.99D-01  7.53D-01
 E= -465.676435520305     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.676435520305     IErMin=10 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.16D-13 BMatP= 3.70D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.185D-05-0.363D-04-0.164D-04-0.235D-03-0.763D-03-0.548D-04
 Coeff-Com:  0.641D-02 0.876D-01 0.174D+00 0.733D+00
 Coeff:      0.185D-05-0.363D-04-0.164D-04-0.235D-03-0.763D-03-0.548D-04
 Coeff:      0.641D-02 0.876D-01 0.174D+00 0.733D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.47D-08 MaxDP=1.56D-06 DE=-2.80D-11 OVMax= 1.63D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.15D-08    CP:  1.40D+00  1.04D+00  7.18D-01  1.11D+00  7.92D-01
                    CP:  7.53D-01  8.12D-01  9.06D-01  7.54D-01  8.81D-01
 E= -465.676435520343     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 8.13D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.676435520343     IErMin=11 ErrMin= 8.13D-09
 ErrMax= 8.13D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-14 BMatP= 4.16D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.500D-06-0.375D-05 0.212D-07-0.703D-04-0.336D-03-0.442D-03
 Coeff-Com: -0.155D-03 0.159D-01 0.416D-01 0.317D+00 0.626D+00
 Coeff:      0.500D-06-0.375D-05 0.212D-07-0.703D-04-0.336D-03-0.442D-03
 Coeff:     -0.155D-03 0.159D-01 0.416D-01 0.317D+00 0.626D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.65D-09 MaxDP=3.73D-07 DE=-3.80D-11 OVMax= 7.47D-08

 Error on total polarization charges =  0.00898
 SCF Done:  E(RB3LYP) =  -465.676435520     A.U. after   11 cycles
            NFock= 11  Conv=0.37D-08     -V/T= 2.0118
 KE= 4.602392901699D+02 PE=-2.454433159779D+03 EE= 8.403569700106D+02
 Leave Link  502 at Wed Mar 16 20:03:58 2022, MaxMem=  6442450944 cpu:            1366.5 elap:             171.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.10493391D+03

 Leave Link  801 at Wed Mar 16 20:03:58 2022, MaxMem=  6442450944 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=   2.2280, EpsInf=   2.1319)
 Inv3:  Mode=1 IEnd=     8751792.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.00D-15 for   1696.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.53D-15 for   1672    854.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.22D-15 for   1696.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.06D-15 for    840    732.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 2.60D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.42D-01 9.17D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 5.00D-02 3.44D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 9.27D-03 1.42D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 1.41D-03 6.11D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 5.24D-05 1.64D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 7.94D-07 1.50D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.14D-08 2.44D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.39D-10 3.76D-06.
      8 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 5.25D-12 3.22D-07.
      1 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 4.41D-14 2.03D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.140922D+03
      2  0.176139D+01  0.134103D+03
      3 -0.689589D+00  0.183965D+01  0.130377D+03
 Isotropic polarizability for W=    0.085645      135.13 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.224154D+02 -0.159491D+02  0.132383D+02
      2  -0.154966D+02  0.636137D+01 -0.782787D+01
      3  -0.691884D+01  0.958772D+01 -0.541048D+01
      4  -0.190572D+02  0.368613D+02 -0.168743D+02
      5   0.951109D+01 -0.169140D+02  0.479201D+02
      6  -0.880515D+01 -0.138362D+02 -0.365024D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.114320D+00 -0.522954D+01  0.258404D+01
      2   0.259270D+01 -0.485981D+01  0.237134D+02
      3   0.564824D+01 -0.194028D+02  0.570849D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.397236D-01 -0.600837D+01  0.132380D+02
      2   0.372726D+01 -0.806914D+01  0.548389D+02
      3  -0.310813D+01 -0.523578D+02  0.810887D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.414407D+00  0.374073D+00 -0.791841D+00
      2   0.374073D+00  0.779799D+00 -0.767516D+00
      3  -0.791841D+00 -0.767516D+00 -0.459850D+00
 OR G Eigenvalues:    -1.0669     0.2141     1.5872  Iso=    -0.2448
 Eigenvectors:
   (1)   0.395584   0.283002   0.873741
   (2)   0.742730  -0.658181  -0.123086
   (3)   0.540246   0.697644  -0.470560
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2448 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -76.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 9.67D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     217
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 2.92D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 2.72D-02 4.46D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.34D-03 7.48D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.03D-05 8.78D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 2.70D-07 6.34D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.63D-09 5.91D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 5.99D-12 3.08D-07.
     10 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.12D-14 1.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.80D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.80D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.43D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140922D+03  0.176139D+01 -0.689589D+00
      2   0.176139D+01  0.134103D+03  0.183965D+01
      3  -0.689589D+00  0.183965D+01  0.130377D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114320D+00 -0.522954D+01  0.258404D+01
      2   0.259270D+01 -0.485981D+01  0.237134D+02
      3   0.564824D+01 -0.194028D+02  0.570849D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.224154D+02 -0.159491D+02  0.132383D+02
      2  -0.154966D+02  0.636137D+01 -0.782787D+01
      3  -0.691884D+01  0.958772D+01 -0.541048D+01
      4  -0.190572D+02  0.368613D+02 -0.168743D+02
      5   0.951109D+01 -0.169140D+02  0.479201D+02
      6  -0.880515D+01 -0.138362D+02 -0.365024D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.275222D+01  0.210463D+01  0.767380D+01  0.150461D+01  0.339000D+01
      2   0.210463D+01  0.397541D+01  0.559354D+00  0.339000D+01 -0.822593D+01
      3   0.767380D+01  0.559354D+00  0.390135D+01  0.211888D-01 -0.219144D+01
                 6             7             8             9            10 
      1   0.211888D-01  0.955840D+01  0.765788D+00  0.277412D+01 -0.677195D+01
      2  -0.219144D+01  0.765788D+00 -0.208520D+01  0.546917D+01 -0.274959D+01
      3   0.416525D+01  0.277412D+01  0.546917D+01 -0.140884D+01 -0.569098D+01
                11            12            13            14            15 
      1  -0.274959D+01 -0.569098D+01 -0.370209D+01  0.901117D+00  0.304499D+01
      2   0.106057D+01  0.268524D+01  0.901117D+00  0.843463D+00  0.409298D+01
      3   0.268524D+01 -0.103723D+01  0.304499D+01  0.409298D+01 -0.545343D+01
                16            17            18            19            20 
      1  -0.581639D+01  0.284058D+01 -0.310976D+01  0.328525D+01 -0.552926D+00
      2   0.284058D+01  0.310379D+01 -0.378547D+01 -0.552926D+00 -0.187978D+01
      3  -0.310976D+01 -0.378547D+01 -0.203562D+01  0.596963D+01 -0.358672D+01
                21            22            23            24            25 
      1   0.596963D+01  0.110910D+01 -0.292324D+00 -0.546802D+01  0.390670D+01
      2  -0.358672D+01 -0.292324D+00  0.671425D+00 -0.324282D+01 -0.324443D+01
      3  -0.118025D+01 -0.546802D+01 -0.324282D+01  0.340970D+01 -0.305060D+00
                26            27            28            29            30 
      1  -0.324443D+01 -0.305060D+00 -0.531028D+01 -0.335356D+01  0.330486D+01
      2  -0.434754D+01  0.207852D+01 -0.335356D+01  0.516869D+01  0.127659D+01
      3   0.207852D+01  0.370365D+01  0.330486D+01  0.127659D+01 -0.350910D+00
                31            32            33            34            35 
      1  -0.132337D+01  0.413441D+01  0.140965D+01  0.266463D+01  0.135595D+01
      2   0.413441D+01 -0.484711D+01  0.273793D+01  0.135595D+01  0.215820D+01
      3   0.140965D+01  0.273793D+01  0.255326D+01 -0.144555D+00  0.196407D+01
                36            37            38            39            40 
      1  -0.144555D+00  0.129790D+01 -0.171306D+01 -0.565482D+01  0.161846D+00
      2   0.196407D+01 -0.171306D+01 -0.438141D+01 -0.223432D+01 -0.601760D+01
      3  -0.351727D+01 -0.565482D+01 -0.223432D+01 -0.236944D+01 -0.254846D+01
                41            42            43            44            45 
      1  -0.601760D+01 -0.254846D+01 -0.455602D+01 -0.229308D+01 -0.256783D+01
      2   0.654208D+01 -0.213403D+01 -0.229308D+01 -0.244218D+00 -0.487605D+01
      3  -0.213403D+01 -0.365083D+01 -0.256783D+01 -0.487605D+01  0.256572D+01
                46            47            48            49            50 
      1   0.116062D+02  0.436325D+01  0.711814D-02  0.408877D+01 -0.123119D+01
      2   0.436325D+01 -0.445615D+01 -0.414123D+01 -0.123119D+01 -0.853658D+00
      3   0.711814D-02 -0.414123D+01 -0.214378D+01 -0.258333D+01 -0.122992D+01
                51            52            53            54            55 
      1  -0.258333D+01  0.122738D+00 -0.180794D+01  0.591394D+00 -0.201745D+01
      2  -0.122992D+01 -0.180794D+01 -0.744471D+00  0.691963D+00 -0.153885D+01
      3   0.380790D+00  0.591394D+00  0.691963D+00  0.225870D+01  0.179675D+01
                56            57            58            59            60 
      1  -0.153885D+01  0.179675D+01 -0.215959D+01  0.496418D+01  0.145798D+01
      2   0.636528D+01  0.182216D+01  0.496418D+01 -0.438566D+01  0.167404D+01
      3   0.182216D+01  0.186591D+01  0.145798D+01  0.167404D+01  0.255682D+01
                61            62            63            64            65 
      1   0.422352D+00 -0.651688D+00  0.147881D+01  0.184131D+01  0.288790D+01
      2  -0.651688D+00  0.217040D+01  0.765861D+00  0.288790D+01 -0.200658D+00
      3   0.147881D+01  0.765861D+00 -0.786225D+01  0.660598D+01 -0.165935D+01
                66            67            68            69            70 
      1   0.660598D+01  0.205993D+01 -0.873322D+00 -0.181417D+01  0.556023D+01
      2  -0.165935D+01 -0.873322D+00  0.107853D+00 -0.403996D+01 -0.193555D+01
      3   0.146661D+01 -0.181417D+01 -0.403996D+01  0.344411D+01  0.143366D+01
                71            72            73            74            75 
      1  -0.193555D+01  0.143366D+01 -0.210521D+02 -0.417148D+01  0.157183D+01
      2  -0.412255D+01  0.427686D+01 -0.417148D+01 -0.149196D+01  0.138094D+01
      3   0.427686D+01  0.111773D+01  0.157183D+01  0.138094D+01 -0.148817D+01
                76            77            78            79            80 
      1  -0.471143D+01 -0.444291D+01  0.840948D+00  0.459634D+00  0.267622D+00
      2  -0.444291D+01 -0.275941D+01  0.904403D+00  0.267622D+00  0.205637D+00
      3   0.840948D+00  0.904403D+00 -0.529563D+00 -0.387819D+01 -0.114772D+01
                81            82            83            84            85 
      1  -0.387819D+01 -0.180146D+01 -0.239846D+01 -0.583632D+01 -0.318265D+01
      2  -0.114772D+01 -0.239846D+01 -0.207844D+01 -0.479543D+00 -0.325965D+01
      3  -0.105345D+00 -0.583632D+01 -0.479543D+00 -0.254782D+01 -0.586902D+00
                86            87            88            89            90 
      1  -0.325965D+01 -0.586902D+00 -0.696129D+01 -0.586570D+00 -0.337757D+01
      2   0.776137D+01  0.248359D+01 -0.586570D+00  0.231602D+01 -0.379388D+01
      3   0.248359D+01 -0.395016D+01 -0.337757D+01 -0.379388D+01  0.345647D+01
                91            92            93            94            95 
      1   0.259030D+01 -0.767780D+00 -0.685015D+01 -0.123786D+01 -0.252860D+01
      2  -0.767780D+00 -0.222594D+01 -0.960977D+00 -0.252860D+01  0.792379D+01
      3  -0.685015D+01 -0.960977D+00 -0.227547D+01 -0.119963D+01  0.150945D+01
                96            97            98            99           100 
      1  -0.119963D+01 -0.624750D+01 -0.121215D+01 -0.231585D+01  0.313456D+01
      2   0.150945D+01 -0.121215D+01  0.263716D+01 -0.368300D+01 -0.484210D+00
      3  -0.435011D+01 -0.231585D+01 -0.368300D+01 -0.746457D+00 -0.314765D+01
               101           102           103           104           105 
      1  -0.484210D+00 -0.314765D+01 -0.139941D+01  0.886332D+00  0.191162D+01
      2   0.155792D+01  0.994721D+00  0.886332D+00 -0.146131D+01 -0.118462D+01
      3   0.994721D+00  0.437174D+01  0.191162D+01 -0.118462D+01 -0.348558D+01
               106           107           108           109           110 
      1  -0.245468D+01  0.681326D+00  0.286058D+01 -0.595319D+01  0.128348D+01
      2   0.681326D+00 -0.106936D+01 -0.140689D+01  0.128348D+01 -0.174797D+01
      3   0.286058D+01 -0.140689D+01 -0.827515D+01 -0.458823D+01  0.166724D+01
               111           112           113           114           115 
      1  -0.458823D+01  0.107289D+01 -0.116522D+01  0.115890D+01 -0.261867D+01
      2   0.166724D+01 -0.116522D+01  0.121185D+01 -0.106673D+01  0.997731D+00
      3  -0.470463D+01  0.115890D+01 -0.106673D+01  0.101645D+01 -0.262991D+01
               116           117           118           119           120 
      1   0.997731D+00 -0.262991D+01 -0.127635D+01  0.263426D+01 -0.836326D+00
      2  -0.687615D+00  0.847000D+00  0.263426D+01 -0.495041D+01  0.861525D+00
      3   0.847000D+00 -0.481725D+01 -0.836326D+00  0.861525D+00 -0.109284D+01
               121           122           123           124           125 
      1   0.191486D+01 -0.253561D+01  0.325881D+00 -0.451868D+00 -0.104001D-01
      2  -0.253561D+01  0.111002D+02 -0.214053D+01 -0.104001D-01 -0.102748D+01
      3   0.325881D+00 -0.214053D+01  0.155946D+01 -0.504940D+00  0.125467D+01
               126           127           128           129           130 
      1  -0.504940D+00  0.864028D+01  0.352498D+01 -0.284741D+01  0.189472D+01
      2   0.125467D+01  0.352498D+01  0.298758D+01 -0.151012D+01  0.171950D+01
      3  -0.384339D+00 -0.284741D+01 -0.151012D+01  0.257569D+01 -0.891834D+00
               131           132           133           134           135 
      1   0.171950D+01 -0.891834D+00 -0.247038D+01 -0.115067D+01  0.196748D+01
      2   0.231521D+01 -0.105878D+01 -0.115067D+01 -0.130344D+01  0.815585D+00
      3  -0.105878D+01  0.468684D+00  0.196748D+01  0.815585D+00 -0.161385D+01
               136           137           138           139           140 
      1  -0.679103D-01  0.183852D+00  0.152080D+01 -0.413334D+00 -0.526192D+00
      2   0.183852D+00 -0.849892D+00 -0.525298D+00 -0.526192D+00  0.406864D+00
      3   0.152080D+01 -0.525298D+00 -0.170635D+01  0.214568D+00  0.103549D+01
               141           142           143           144           145 
      1   0.214568D+00  0.211309D+01 -0.136371D+00 -0.176549D+01 -0.348430D+01
      2   0.103549D+01 -0.136371D+00  0.179317D+01  0.123114D+01  0.339595D+01
      3  -0.126772D+01 -0.176549D+01  0.123114D+01  0.118596D+02  0.227474D+00
               146           147           148           149           150 
      1   0.339595D+01  0.227474D+00  0.361997D+01 -0.390485D+01 -0.575109D+00
      2  -0.473863D+01 -0.941103D+00 -0.390485D+01  0.937108D+01  0.515737D+00
      3  -0.941103D+00 -0.105036D+01 -0.575109D+00  0.515737D+00  0.126618D+01
               151           152           153           154           155 
      1  -0.107938D+01  0.788187D+00 -0.515650D+00  0.499193D+01  0.323200D+01
      2   0.788187D+00 -0.151451D+01  0.116404D+01  0.323200D+01  0.347979D+01
      3  -0.515650D+00  0.116404D+01  0.826825D+00  0.349705D+01  0.201587D+01
               156           157           158           159           160 
      1   0.349705D+01  0.199135D+01  0.290740D+01  0.129591D+01  0.328932D+01
      2   0.201587D+01  0.290740D+01  0.378415D+01  0.247001D+01  0.194576D+01
      3   0.318457D+01  0.129591D+01  0.247001D+01  0.251306D+01  0.306452D+01
               161           162           163           164           165 
      1   0.194576D+01  0.306452D+01 -0.619485D+01 -0.213878D+01 -0.425781D+01
      2   0.277377D+01  0.328749D+01 -0.213878D+01 -0.256022D+01 -0.141674D+01
      3   0.328749D+01  0.461136D+01 -0.425781D+01 -0.141674D+01 -0.405254D+01
               166           167           168           169           170 
      1  -0.629517D+00 -0.109873D+01 -0.221513D+00 -0.384361D+01 -0.947792D+00
      2  -0.109873D+01 -0.400801D+00 -0.441153D+00 -0.947792D+00 -0.105466D+01
      3  -0.221513D+00 -0.441153D+00 -0.471357D+00 -0.319292D+01 -0.189306D+01
               171           172           173           174           175 
      1  -0.319292D+01 -0.865552D+00 -0.140408D+01  0.513574D-02 -0.117363D+01
      2  -0.189306D+01 -0.140408D+01 -0.123190D+01  0.598558D+00 -0.102669D+01
      3  -0.436430D+01  0.513574D-02  0.598558D+00 -0.573370D+00  0.478546D+00
               176           177           178           179           180 
      1  -0.102669D+01  0.478546D+00  0.785911D+00  0.105144D+01 -0.469229D+00
      2  -0.695402D+01  0.286394D+01  0.105144D+01  0.546752D+01 -0.267725D+01
      3   0.286394D+01 -0.231335D+01 -0.469229D+00 -0.267725D+01  0.361269D+01
               181           182           183           184           185 
      1   0.416783D+01 -0.209534D+01 -0.288093D+01 -0.138212D+01  0.173676D+01
      2  -0.209534D+01  0.334936D+01  0.206878D+01  0.173676D+01 -0.224613D+01
      3  -0.288093D+01  0.206878D+01  0.301102D+01  0.118109D+01 -0.106163D+01
               186           187           188           189           190 
      1   0.118109D+01 -0.272840D+01  0.137693D+01  0.190183D+01  0.103736D+01
      2  -0.106163D+01  0.137693D+01 -0.190512D+01 -0.252365D+01  0.103264D+01
      3  -0.154732D+01  0.190183D+01 -0.252365D+01 -0.390517D+01 -0.111761D+01
               191           192           193           194           195 
      1   0.103264D+01 -0.111761D+01  0.208156D+01  0.532329D+00 -0.612255D+00
      2   0.376906D+00 -0.312137D+00  0.532329D+00  0.116211D+01 -0.178257D+01
      3  -0.312137D+00  0.161168D+01 -0.612255D+00 -0.178257D+01  0.255717D+01
               196           197           198           199           200 
      1  -0.255282D+01 -0.199585D+00  0.246571D+01  0.141167D+01 -0.146482D+01
      2  -0.199585D+00 -0.217662D+01  0.215213D+01 -0.146482D+01  0.150022D+01
      3   0.246571D+01  0.215213D+01 -0.671611D+01  0.104299D+00  0.318858D+00
               201           202           203           204           205 
      1   0.104299D+00 -0.345970D+01  0.356249D+01  0.731774D+00  0.174411D+00
      2   0.318858D+00  0.356249D+01 -0.967502D+01 -0.158635D+01  0.473543D+00
      3   0.441721D+00  0.731774D+00 -0.158635D+01 -0.139244D+01  0.907852D+00
               206           207           208           209           210 
      1   0.473543D+00  0.907852D+00  0.896925D+01  0.126197D+01  0.340257D+01
      2  -0.131923D+01 -0.995919D+00  0.126197D+01  0.134615D+01  0.401699D+00
      3  -0.995919D+00 -0.964415D+00  0.340257D+01  0.401699D+00  0.228104D+01
               211           212           213           214           215 
      1   0.317498D+01  0.182435D+01  0.961474D+00  0.652167D+01  0.550148D+00
      2   0.182435D+01  0.253344D+00  0.493908D+00  0.550148D+00  0.970620D+00
      3   0.961474D+00  0.493908D+00  0.127757D+01  0.324023D+01  0.872325D+00
               216           217           218           219           220 
      1   0.324023D+01 -0.614363D+01  0.247114D-01  0.304728D+01  0.269668D+00
      2   0.872325D+00  0.247114D-01 -0.164787D+01  0.116598D+01 -0.842449D+00
      3   0.277652D+01  0.304728D+01  0.116598D+01 -0.374351D+01  0.432557D+00
               221           222           223           224           225 
      1  -0.842449D+00  0.432557D+00  0.263641D+01  0.460937D+00 -0.205698D+01
      2  -0.671354D+00  0.325088D+00  0.460937D+00  0.436891D+00 -0.132870D+00
      3   0.325088D+00  0.373445D+00 -0.205698D+01 -0.132870D+00  0.343887D+01
               226           227           228           229           230 
      1   0.451396D+01  0.325956D+00  0.425477D+01  0.157380D+01  0.109256D+01
      2   0.325956D+00  0.145291D+01  0.115669D+00  0.109256D+01  0.145190D+00
      3   0.425477D+01  0.115669D+00  0.499237D+01  0.128354D+01  0.799277D+00
               231           232           233           234           235 
      1   0.128354D+01  0.342470D+01  0.297333D+00  0.382818D+01  0.698985D+00
      2   0.799277D+00  0.297333D+00  0.717732D+00  0.656195D+00 -0.142264D+01
      3   0.265272D+01  0.382818D+01  0.656195D+00  0.691073D+01  0.718878D+00
               236           237           238           239           240 
      1  -0.142264D+01  0.718878D+00 -0.174336D+01  0.209390D+01 -0.249411D+00
      2   0.182045D+01 -0.165658D+00  0.209390D+01 -0.111196D+02  0.125470D+01
      3  -0.165658D+00  0.612964D+00 -0.249411D+00  0.125470D+01 -0.178280D+01
               241           242           243 
      1   0.140782D+00  0.322948D+00  0.319569D+00
      2   0.322948D+00 -0.114890D+01 -0.611263D+00
      3   0.319569D+00 -0.611263D+00 -0.422528D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197315D+01  0.134605D+01  0.215334D+01  0.324524D+01 -0.729250D+01
      2   0.121503D+02 -0.247339D+00  0.430805D+01  0.239492D+01 -0.537404D+01
      3   0.130374D+01 -0.826865D+01 -0.263952D+01  0.582650D+00  0.918458D+01
                 6             7             8             9            10 
      1  -0.424798D+01  0.564632D+01  0.450943D+01  0.209877D+01 -0.522708D+01
      2   0.369053D+01 -0.325216D+01  0.410962D+01 -0.330076D+01 -0.367812D+01
      3   0.336105D+01 -0.303676D+01  0.376389D+01 -0.437950D+01 -0.246417D+01
                11            12            13            14            15 
      1  -0.313320D+01  0.127319D+01  0.188037D+01  0.509838D+01 -0.142114D+02
      2  -0.383297D+01  0.229330D+01 -0.440876D+01 -0.400214D+00  0.169814D+01
      3  -0.365232D+01  0.474845D+01  0.881039D+01  0.526806D+00  0.146362D+01
                16            17            18            19            20 
      1  -0.766267D+01 -0.272658D-02 -0.233080D+01  0.555417D+01  0.510547D+01
      2  -0.767260D+01  0.474155D+01 -0.716937D+01  0.654238D+01 -0.154564D+01
      3   0.430496D+01  0.333352D+01  0.270516D+00 -0.438653D+00 -0.528647D+01
                21            22            23            24            25 
      1   0.516466D+01 -0.132665D+01  0.218857D+01  0.723613D+01  0.599288D+01
      2   0.138572D+02 -0.806619D+00 -0.907654D+00 -0.986634D+01  0.484243D+01
      3   0.636411D+00  0.391574D+00 -0.273607D+00 -0.193500D+01  0.124369D+01
                26            27            28            29            30 
      1   0.122640D+02 -0.150216D+01 -0.632144D+01 -0.783640D+01 -0.133733D+01
      2  -0.920242D+01  0.112178D+01 -0.241639D+01 -0.225820D+01  0.606485D+01
      3  -0.220345D+01  0.461856D+00 -0.104893D+02 -0.152382D+02  0.727714D+01
                31            32            33            34            35 
      1  -0.711090D+01 -0.309208D+01 -0.131079D+02 -0.280078D+00 -0.616775D+01
      2  -0.507698D+00  0.597626D+01  0.379089D+01  0.608821D+00  0.273537D+01
      3  -0.433654D+01  0.148796D+02  0.691150D+00  0.656532D+01  0.199428D+01
                36            37            38            39            40 
      1   0.784184D+01  0.495028D+01  0.115952D+01  0.626072D+00  0.311275D+00
      2  -0.515871D+01 -0.721746D+01 -0.134190D+01  0.514531D+01 -0.171200D+01
      3  -0.199487D+01  0.634426D+01 -0.307120D+01 -0.501383D+01  0.719206D+01
                41            42            43            44            45 
      1   0.679702D+01  0.156795D+01 -0.905138D+00  0.997573D+01 -0.927990D+01
      2   0.225105D+01 -0.157032D+01 -0.309215D+01 -0.120205D+01  0.377637D+01
      3  -0.120669D+02 -0.183336D+01 -0.404549D+01 -0.231107D+01 -0.215246D+00
                46            47            48            49            50 
      1   0.392043D+01  0.176271D+01  0.542960D+01  0.416996D+01 -0.145965D+02
      2  -0.336040D+01  0.812474D+01 -0.466606D+01  0.687814D+01 -0.363427D+01
      3   0.767465D-01  0.336602D+01 -0.769066D+01  0.663520D+01  0.319137D+01
                51            52            53            54            55 
      1  -0.486943D+00  0.241449D+01  0.108538D+02  0.152501D+02 -0.635874D+01
      2  -0.868736D+00 -0.122487D+02  0.691067D+00  0.631426D+01  0.320023D+01
      3  -0.281798D+01 -0.812164D+01 -0.319586D+01  0.612559D+00 -0.641358D+01
                56            57            58            59            60 
      1   0.743396D+01 -0.249012D+01  0.583791D+01 -0.711195D+01 -0.791593D+01
      2   0.127806D+01 -0.451938D+01  0.129467D+01 -0.779817D+01 -0.252274D+01
      3   0.398693D+01  0.628038D+01  0.761337D+01  0.148897D+01  0.119480D+01
                61            62            63            64            65 
      1  -0.615249D+00  0.640450D+01  0.147680D+02  0.842104D+01 -0.188027D+01
      2  -0.944005D+01  0.636227D+00  0.958973D+01 -0.276905D+01  0.566551D+01
      3   0.424840D+01 -0.622813D+00  0.299310D+01 -0.170737D+01 -0.110554D+02
                66            67            68            69            70 
      1   0.496870D+01 -0.340194D+01 -0.900860D+01  0.100625D+02  0.421666D+01
      2   0.950568D+01  0.333734D+01  0.245526D+01 -0.467181D+01  0.322544D+01
      3  -0.157071D+02 -0.260112D+01  0.177820D+01  0.930510D+00 -0.129299D+02
                71            72            73            74            75 
      1   0.186022D+02 -0.285792D+01 -0.692673D-01 -0.494247D+00 -0.604216D+01
      2  -0.650271D+01  0.108816D+01  0.351079D+01  0.740594D+00  0.168198D+02
      3  -0.227682D+00 -0.493558D+00 -0.371398D+01 -0.179219D+02 -0.465641D-01
                76            77            78            79            80 
      1  -0.299782D+01  0.294821D+01 -0.243175D+01  0.970737D+00 -0.106295D+01
      2  -0.196936D+01  0.311501D+01  0.421915D+01  0.495924D+01  0.689320D+00
      3  -0.344297D+01 -0.903337D+01  0.253361D+00  0.735864D+00  0.102368D+01
                81            82            83            84            85 
      1  -0.567727D+01 -0.306848D+01  0.567015D-01 -0.211471D+01 -0.280928D+00
      2  -0.194343D+01 -0.146133D+02 -0.102756D+01 -0.609979D+01 -0.243229D+01
      3  -0.310652D+01  0.679589D+01  0.515790D+01  0.406535D+01  0.150289D+02
                86            87            88            89            90 
      1   0.995326D+00 -0.558091D+01 -0.504210D+01 -0.548074D+00  0.374994D+01
      2   0.709999D+01 -0.102280D+02 -0.157764D+02 -0.904560D+01  0.109929D+02
      3  -0.189592D+02 -0.749406D+01  0.564592D+01 -0.691416D+01  0.121662D+02
                91            92            93            94            95 
      1  -0.107410D+02 -0.518884D+01 -0.432198D+01 -0.732326D+01  0.197403D+02
      2  -0.134519D+02 -0.675124D+00  0.160785D+02 -0.459594D-01  0.597499D+01
      3  -0.370098D+01  0.738229D-01  0.109863D+02  0.564460D+01 -0.537546D+01
                96            97            98            99           100 
      1  -0.646822D+01 -0.466365D+01  0.328017D+01 -0.104393D+02  0.535096D+00
      2  -0.162716D+01  0.790777D+01 -0.216099D+01  0.334732D+01  0.777917D+01
      3   0.318988D-01  0.885119D+01 -0.183266D+01  0.601835D+01  0.129752D+01
               101           102           103           104           105 
      1  -0.555037D+01 -0.263136D+01 -0.465273D+00  0.460644D+01 -0.297307D+00
      2  -0.175430D+01 -0.392257D+01 -0.318188D+01  0.167335D+01  0.215103D+01
      3  -0.160643D+01 -0.111448D+01  0.785652D+00  0.370804D+00  0.341048D+00
               106           107           108           109           110 
      1  -0.210998D+01  0.590734D+01  0.389604D+01 -0.421469D+00  0.441159D+01
      2  -0.699132D+01  0.176215D+01  0.404164D+01 -0.132679D+02  0.181272D+01
      3  -0.429757D+00  0.160619D+01  0.775179D+00 -0.380874D+01 -0.207348D+01
               111           112           113           114           115 
      1  -0.333918D+00  0.132329D+01 -0.202429D+01 -0.398955D+00  0.130827D+00
      2  -0.523566D+01  0.280300D+01 -0.198784D+01  0.222918D+01 -0.643675D+01
      3  -0.205288D+01  0.177830D+01  0.217985D+00  0.649702D+00 -0.189461D+01
               116           117           118           119           120 
      1   0.202818D+01  0.558577D+00 -0.373358D+00  0.366308D+01  0.339786D+01
      2   0.181946D+01 -0.421612D+01 -0.238305D+01  0.275773D+01 -0.127438D-02
      3  -0.544216D+00 -0.171771D+01 -0.595585D+01  0.756546D+01 -0.214680D+01
               121           122           123           124           125 
      1   0.227548D+01 -0.642595D+01 -0.511903D+01  0.112337D+01  0.670479D-01
      2   0.256101D+01 -0.411520D+01  0.563122D+00 -0.171777D+01  0.112688D+01
      3   0.916967D+01 -0.121485D+02  0.171289D+01 -0.117395D+01  0.735426D+00
               126           127           128           129           130 
      1  -0.835328D+00  0.332396D+01 -0.109032D+01 -0.554582D+01  0.245407D+00
      2  -0.205719D+00  0.754203D+01  0.173789D+01  0.201642D+01  0.102658D+01
      3  -0.217269D+01  0.177887D+02  0.166628D+01 -0.456344D+01  0.336067D+01
               131           132           133           134           135 
      1   0.707986D+00 -0.965321D+00 -0.325038D+01  0.160603D+01  0.212631D+01
      2   0.738923D+00  0.178144D+00 -0.247478D+01 -0.572835D+00 -0.207091D+00
      3   0.130118D+01 -0.122754D+01 -0.488968D+01 -0.861668D+00  0.370993D+01
               136           137           138           139           140 
      1  -0.152665D+01  0.395319D+00  0.302076D+01  0.417122D+00 -0.161668D+01
      2  -0.151060D+01  0.675713D+00  0.149012D+01  0.705030D+00 -0.178431D+00
      3   0.437223D+00 -0.243251D+01  0.906284D+00 -0.923765D-01 -0.156131D+01
               141           142           143           144           145 
      1   0.453343D+01  0.299592D+01  0.176324D+01 -0.206758D+02  0.395578D+01
      2   0.256301D+01 -0.353096D+01 -0.141513D+01 -0.119183D+02  0.402558D+01
      3   0.119209D+01  0.292912D+01  0.233334D+01 -0.281803D+01 -0.153541D+01
               146           147           148           149           150 
      1  -0.786552D+01  0.167591D+00 -0.492414D+01  0.131649D+02 -0.276544D+01
      2  -0.413960D+01  0.263637D+01 -0.449725D+01  0.637570D+01 -0.125897D+01
      3  -0.249342D+01 -0.101835D+01  0.448239D+01  0.533491D+01 -0.447628D+00
               151           152           153           154           155 
      1   0.145255D+01 -0.391631D+01  0.588842D+00 -0.246783D+01  0.131614D+01
      2   0.114578D+01 -0.220515D+01  0.657087D+00 -0.215823D+01 -0.694508D+00
      3  -0.144369D+01 -0.131328D+01  0.378609D+00  0.603692D+01 -0.427513D+00
               156           157           158           159           160 
      1  -0.412079D+01 -0.496950D+00 -0.201140D+00 -0.450450D+01 -0.228181D+01
      2   0.197639D+01 -0.168635D+01 -0.278636D+00  0.159470D+01 -0.225514D+01
      3   0.343614D+01  0.341469D+01  0.804009D+00  0.598833D+00  0.446517D+01
               161           162           163           164           165 
      1   0.202337D+00 -0.481694D+01 -0.527563D+01  0.176401D+01 -0.693207D+01
      2   0.127973D+01  0.253229D+01 -0.638414D+01 -0.117569D+01  0.169023D+00
      3  -0.701217D+00  0.169493D+01  0.128114D+02 -0.287101D+00  0.774657D+01
               166           167           168           169           170 
      1   0.167819D+00 -0.255170D+00 -0.163080D+01 -0.539981D+01 -0.183283D+00
      2  -0.617287D+00 -0.115009D+01  0.142829D-01 -0.438915D+01 -0.796641D-01
      3   0.164597D+01  0.177253D+01  0.699838D+00  0.802592D+01  0.357303D+00
               171           172           173           174           175 
      1  -0.633438D+01  0.158610D+01  0.250464D+01 -0.159964D+01  0.245775D+01
      2  -0.162464D+00 -0.656048D+00 -0.199088D+01  0.133223D+01 -0.722686D+00
      3   0.569593D+01  0.103586D+01  0.103168D+01 -0.127343D-01  0.433685D+01
               176           177           178           179           180 
      1   0.134554D+02 -0.116882D+02 -0.139471D+01 -0.106730D+02  0.134643D+02
      2  -0.321284D+01  0.249735D+01 -0.428911D+00  0.312319D+01 -0.386540D+01
      3  -0.228494D+01  0.776863D+00 -0.284289D+01  0.166673D+01 -0.113168D+01
               181           182           183           184           185 
      1  -0.319277D+01 -0.187883D+01  0.448166D+01  0.412705D+00  0.596838D+00
      2   0.873430D+01 -0.344318D+01 -0.322137D+01 -0.257258D+01  0.237404D+01
      3  -0.120691D+02  0.373422D+01  0.673075D+01  0.510088D+01 -0.365966D+01
               186           187           188           189           190 
      1  -0.331870D+01  0.214522D+01 -0.494382D+00 -0.454583D+01 -0.112136D+01
      2   0.159880D+01 -0.607002D+01  0.282789D+01  0.337083D+01 -0.236426D+01
      3  -0.283056D+01  0.707619D+01 -0.251394D+01 -0.503571D+01 -0.274855D+01
               191           192           193           194           195 
      1  -0.617849D+00  0.681139D+00 -0.585020D-01 -0.272595D+01  0.155711D+01
      2  -0.268965D+00  0.396085D+01  0.526546D+00 -0.527144D+01  0.799911D+01
      3  -0.200470D+01  0.153131D+01 -0.373586D+00 -0.512641D+01  0.578041D+01
               196           197           198           199           200 
      1   0.100779D+01  0.517725D+01 -0.438264D+01  0.402207D+00 -0.594536D+00
      2   0.125384D+01  0.704188D+01 -0.190204D+02  0.355069D+00  0.323980D+00
      3   0.708623D+00  0.759685D+01 -0.758326D+01  0.306681D+01 -0.400686D+01
               201           202           203           204           205 
      1   0.578760D+00  0.265299D-01  0.164605D+01 -0.387255D+01  0.415684D+00
      2   0.194301D+01  0.860019D+00 -0.403527D+01 -0.478632D+01  0.100580D+01
      3  -0.788720D+00 -0.278417D+01  0.244245D+02  0.386774D+01 -0.862290D+00
               206           207           208           209           210 
      1   0.759129D+00 -0.826057D+00  0.213739D+01  0.107350D+01  0.103501D+01
      2  -0.218046D+01 -0.259470D+01  0.939456D+01  0.186336D+01  0.978041D+01
      3   0.392024D+01  0.196912D+01 -0.792589D+01 -0.692246D+01 -0.330743D+01
               211           212           213           214           215 
      1   0.896820D+00  0.801461D+00 -0.316274D+00  0.245534D+01  0.192930D+01
      2   0.259336D+01  0.129387D+01  0.428010D+01  0.670167D+01  0.245320D+01
      3  -0.460965D+01 -0.224517D+01 -0.158697D+01 -0.472157D+01 -0.431667D+01
               216           217           218           219           220 
      1   0.101201D+01  0.517724D+01 -0.395185D+01 -0.266501D+01 -0.197895D+01
      2   0.892606D+01  0.184220D+02 -0.584547D+00 -0.632206D+01 -0.780326D+00
      3  -0.410418D+01  0.963969D+01 -0.199943D+01 -0.424084D+01  0.651976D+00
               221           222           223           224           225 
      1   0.211788D-02  0.183081D+00 -0.231378D+01  0.214618D+01  0.349439D+01
      2   0.240157D+01 -0.399306D+00 -0.916134D+01 -0.573011D+00  0.542880D+01
      3   0.152091D+01 -0.826617D+00 -0.404390D+01  0.239793D+00  0.262765D+01
               226           227           228           229           230 
      1   0.593523D+01  0.479676D+01  0.605033D+01  0.339361D+01  0.195274D+01
      2  -0.576059D+01 -0.113044D+01 -0.796326D+00 -0.242630D+01 -0.103323D+01
      3  -0.485515D+01 -0.387899D+01 -0.455677D+01 -0.167983D+01 -0.167631D+01
               231           232           233           234           235 
      1   0.335468D+01  0.513378D+01  0.486873D+01  0.923892D+01 -0.170699D+01
      2   0.701465D+00 -0.651242D+01  0.205624D-01  0.433835D-01 -0.107469D-01
      3  -0.202023D+01 -0.441971D+01 -0.226990D+01 -0.502082D+01  0.308997D+00
               236           237           238           239           240 
      1   0.329277D+01  0.110624D+01  0.364974D+01 -0.212720D+02 -0.435691D+01
      2   0.205150D+01  0.597031D+00  0.338677D+01 -0.235267D+01 -0.196928D+01
      3  -0.100912D+01 -0.365966D+00  0.375395D+01  0.849897D+01 -0.873387D+00
               241           242           243 
      1   0.700714D+00 -0.224230D+01 -0.266278D+01
      2  -0.659695D+00 -0.802503D+00 -0.112062D+01
      3   0.554087D-01  0.125738D+01  0.399848D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127140D+02  0.423110D+01  0.168622D+02  0.544392D+01  0.986247D+01
      2  -0.680128D+00 -0.286245D+01 -0.107819D+02 -0.451970D+01 -0.244151D+01
      3   0.133941D+02 -0.136865D+01 -0.608026D+01 -0.924219D+00 -0.742096D+01
      4  -0.813037D+00  0.479366D+01 -0.614390D+01  0.690575D+01 -0.151353D+02
      5   0.147573D+02 -0.128057D+01  0.875455D+01  0.103579D+01  0.484301D+00
      6  -0.939823D+01  0.272994D+01 -0.170545D+01  0.360018D+01 -0.641340D+01
                 6             7             8             9            10 
      1  -0.492299D+01  0.208583D+02 -0.302542D+01  0.111700D+02  0.228359D+01
      2  -0.430972D+01 -0.110386D+02 -0.192283D+01 -0.536735D+01 -0.136813D+01
      3   0.923271D+01 -0.981974D+01  0.494824D+01 -0.580263D+01 -0.915461D+00
      4  -0.749535D+00 -0.548119D+01 -0.499024D+00  0.241201D+01  0.745843D+01
      5   0.731428D+01  0.111988D+02  0.637138D+01 -0.271155D+01 -0.351095D+01
      6  -0.455659D+01 -0.204874D+01 -0.536507D+01  0.296420D+01  0.907876D+01
                11            12            13            14            15 
      1   0.591722D+01  0.942417D+00  0.103957D+02 -0.868903D+00 -0.167103D+02
      2  -0.227341D+01  0.532193D+01 -0.660763D-01  0.917006D+01 -0.357531D+01
      3  -0.364381D+01 -0.626435D+01 -0.103296D+02 -0.830116D+01  0.202856D+02
      4   0.427657D+01  0.415728D+01  0.159331D+00  0.232218D+01 -0.166725D+01
      5  -0.199408D+01  0.536917D+01 -0.308000D+01 -0.247899D+01 -0.447062D+01
      6  -0.175334D+01  0.903777D+00 -0.296640D+00  0.399480D+01 -0.487622D+01
                16            17            18            19            20 
      1  -0.184308D+02 -0.857157D+01 -0.138388D+01  0.835525D+01 -0.365474D+01
      2   0.680411D+01 -0.402224D+01  0.427757D+00  0.151750D+02 -0.131168D+02
      3   0.116267D+02  0.125938D+02  0.956123D+00 -0.235302D+02  0.167716D+02
      4   0.778032D+01 -0.546792D+01  0.314193D+01  0.534851D+01 -0.366681D+01
      5   0.253677D+01 -0.248344D+00 -0.522620D+00 -0.119254D+02  0.374055D+01
      6   0.152071D-01  0.792495D+00  0.130223D+02  0.544063D+01 -0.105288D+01
                21            22            23            24            25 
      1  -0.111016D+02 -0.150192D+02 -0.761634D+01  0.179407D+02 -0.210056D+01
      2  -0.588353D+01 -0.870716D+01 -0.728289D+01  0.103292D+01 -0.742014D+01
      3   0.169851D+02  0.237264D+02  0.148992D+02 -0.189737D+02  0.952070D+01
      4   0.396039D+01 -0.306898D+01 -0.394937D+01 -0.244385D+01  0.189232D+01
      5  -0.259121D+02  0.690315D+01  0.340545D+01  0.134866D+02 -0.182366D+02
      6   0.122785D+02 -0.366345D+01 -0.521775D+01  0.807443D+01  0.942891D+01
                26            27            28            29            30 
      1   0.809333D+01  0.460932D+01 -0.612129D+01 -0.187639D+02  0.712237D+01
      2   0.123240D+01  0.155230D+02 -0.796248D+01  0.299831D+02  0.128817D+01
      3  -0.932573D+01 -0.201324D+02  0.140838D+02 -0.112191D+02 -0.841054D+01
      4  -0.205815D+01  0.460954D+01 -0.226538D+02 -0.149470D+02  0.152380D+02
      5   0.961961D+01  0.408833D+01  0.147425D+02  0.968539D+01 -0.372303D+01
      6   0.527297D+01 -0.559299D+01  0.185828D+02 -0.138699D+01 -0.625702D+01
                31            32            33            34            35 
      1  -0.123174D+02  0.195223D+02 -0.373875D+00  0.631156D+01  0.134226D+01
      2   0.212241D+02 -0.285257D+02  0.110077D+02  0.664853D+00  0.914507D+01
      3  -0.890671D+01  0.900339D+01 -0.106338D+02 -0.697642D+01 -0.104873D+02
      4  -0.491931D+01  0.148590D+02  0.246466D+01  0.131977D+02  0.418441D+01
      5   0.383932D+01 -0.416129D+01  0.178797D+00 -0.525199D+01  0.539931D+00
      6  -0.182831D+01  0.113787D+02  0.172359D+01 -0.414305D+01  0.286837D+01
                36            37            38            39            40 
      1  -0.927474D+01  0.738802D+00  0.498564D+01 -0.294310D+00  0.338045D+01
      2   0.742293D+01  0.201224D+01 -0.112667D+02 -0.416424D+01 -0.717851D+01
      3   0.185181D+01 -0.275105D+01  0.628106D+01  0.445855D+01  0.379806D+01
      4   0.323180D+01  0.128788D+01 -0.922844D+01 -0.141715D+02 -0.841662D+01
      5  -0.178634D+01 -0.655534D+01 -0.103269D+02 -0.118875D+02 -0.571792D+01
      6  -0.115187D+02 -0.157370D+02 -0.137207D+02 -0.477836D+01 -0.100907D+02
                41            42            43            44            45 
      1  -0.999512D+01  0.855030D-01 -0.365543D+01 -0.118254D+01  0.345121D+01
      2   0.135962D+02 -0.103742D+01  0.360844D+00 -0.110805D+01 -0.100313D+02
      3  -0.360112D+01  0.951912D+00  0.329459D+01  0.229058D+01  0.658012D+01
      4  -0.363319D+01 -0.646615D+01 -0.116160D+02 -0.651499D+01 -0.142576D+02
      5  -0.676520D+01 -0.900537D+01 -0.988298D+01 -0.115320D+02 -0.709076D+01
      6   0.477662D+00 -0.107463D+02 -0.790359D+01 -0.142256D+02  0.254344D+01
                46            47            48            49            50 
      1  -0.723990D+02 -0.942467D+01  0.464118D+01 -0.246130D+02  0.108829D+01
      2   0.341871D+02 -0.218232D+01 -0.448763D+01  0.115940D+02 -0.533765D+01
      3   0.382118D+02  0.116070D+02 -0.153557D+00  0.130190D+02  0.424937D+01
      4  -0.179635D+02 -0.145870D+02  0.252340D+01 -0.129970D+01 -0.611652D+01
      5   0.783282D+01  0.521572D+01 -0.139078D+02  0.395854D+01  0.635786D+00
      6   0.487581D+00  0.225915D+01 -0.708920D+01  0.430011D+01 -0.577149D+01
                51            52            53            54            55 
      1   0.158916D+02  0.107727D+01  0.126279D+02 -0.120792D+01  0.331473D+01
      2  -0.413048D+00  0.234453D+01 -0.692478D+01 -0.151972D+01 -0.892575D+01
      3  -0.154785D+02 -0.342180D+01 -0.570311D+01  0.272764D+01  0.561101D+01
      4   0.230621D+01 -0.941969D+00  0.529578D+01 -0.366270D+01  0.285526D+01
      5  -0.658049D+01  0.377713D+01 -0.133471D+01  0.410461D+00 -0.263458D+01
      6  -0.402451D+01 -0.301557D+00  0.348952D-01 -0.817297D+01  0.509239D+01
                56            57            58            59            60 
      1  -0.942060D+01 -0.853950D+01  0.213449D+01 -0.151827D+01 -0.104482D+02
      2   0.213840D+02  0.231156D+01  0.114920D+02 -0.154627D+02 -0.879556D+00
      3  -0.119634D+02  0.622795D+01 -0.136265D+02  0.169810D+02  0.113277D+02
      4  -0.169755D+02  0.473039D+00 -0.107443D+02  0.233152D+02 -0.120203D+01
      5  -0.208022D+01  0.830841D-01 -0.271110D+00  0.424334D+01 -0.472631D-01
      6   0.119355D+02  0.434998D+01  0.487408D+01  0.609110D+00  0.107435D+02
                61            62            63            64            65 
      1   0.354335D+01 -0.272141D+01  0.142956D+02  0.767708D+01 -0.666474D+01
      2  -0.696169D+01  0.972599D+01  0.194196D+02  0.490406D+01  0.277762D+01
      3   0.341834D+01 -0.700458D+01 -0.337152D+02 -0.125811D+02  0.388712D+01
      4   0.450042D+01 -0.398373D+01  0.809168D+01 -0.579224D+01 -0.126393D+02
      5   0.120793D+01  0.133306D+01  0.177681D+02 -0.107971D+02 -0.106320D+02
      6   0.144335D+01  0.631141D+01 -0.120931D+02 -0.273242D+02  0.924039D+01
                66            67            68            69            70 
      1  -0.118719D+02 -0.665001D+01 -0.108086D+01 -0.300154D+01 -0.994264D+01
      2   0.147688D+02  0.128951D+01 -0.811081D+01  0.222233D+02  0.137034D+02
      3  -0.289689D+01  0.536050D+01  0.919166D+01 -0.192217D+02 -0.376075D+01
      4  -0.245837D+02 -0.909856D+01  0.127551D+01  0.111170D+02 -0.218479D+02
      5  -0.231920D+02 -0.583627D+01  0.876471D+01  0.271344D+00 -0.201729D+02
      6  -0.139185D+01  0.899798D+01  0.170812D+02 -0.868794D+01 -0.124697D+01
                71            72            73            74            75 
      1  -0.713207D+01  0.444256D+01  0.131888D+03  0.178130D+02 -0.509327D+01
      2   0.271415D+02 -0.976283D+01 -0.635229D+02 -0.457220D+01  0.343227D+01
      3  -0.200094D+02  0.532027D+01 -0.683648D+02 -0.132408D+02  0.166100D+01
      4   0.122031D+02 -0.656205D+01  0.232653D+02  0.290790D+02 -0.203575D+01
      5  -0.137380D+01 -0.238034D+01 -0.105713D+02 -0.304970D+01  0.262217D+02
      6  -0.135743D+02 -0.866552D+01 -0.604795D+01 -0.419160D+01  0.453002D+01
                76            77            78            79            80 
      1   0.219636D+02  0.161273D+02 -0.431596D+01  0.308331D+01 -0.290269D+01
      2  -0.935784D+01 -0.436157D+00  0.193682D+01  0.165967D+01  0.131176D+01
      3  -0.126057D+02 -0.156912D+02  0.237914D+01 -0.474299D+01  0.159092D+01
      4   0.307188D+02  0.167855D+02 -0.359137D+01 -0.398870D+01 -0.270559D+01
      5  -0.627316D+01 -0.434689D+01  0.724258D+01  0.259079D+02  0.603301D+01
      6  -0.438962D+01 -0.282387D+01  0.719684D+01  0.311333D+01  0.603429D+01
                81            82            83            84            85 
      1   0.121857D+02 -0.685042D+01 -0.150005D+02 -0.313404D+02 -0.215681D+02
      2  -0.124803D+02  0.654778D+01  0.113439D+02  0.165283D+02  0.184184D+02
      3   0.294540D+00  0.302636D+00  0.365659D+01  0.148120D+02  0.314966D+01
      4   0.504601D+01 -0.128956D+02 -0.864435D+01  0.112990D+01 -0.142301D+02
      5  -0.550177D+01 -0.313999D+02 -0.179447D+01 -0.142600D+02 -0.536523D+01
      6  -0.822838D+00  0.528210D+01  0.125224D+01  0.112656D+01  0.203500D+01
                86            87            88            89            90 
      1  -0.194747D+01 -0.102828D+01 -0.375649D+02 -0.134517D+01 -0.177399D+02
      2  -0.125585D+02 -0.345274D+01  0.190978D+02 -0.355709D+01  0.146035D+02
      3   0.145059D+02  0.448102D+01  0.184671D+02  0.490226D+01  0.313643D+01
      4   0.355682D+02  0.958312D+01 -0.160097D+01  0.917050D+01 -0.131343D+02
      5   0.952213D+01 -0.165593D+02 -0.204447D+02 -0.153282D+02  0.129866D+02
      6  -0.704726D+01  0.156050D+01  0.103835D+01  0.192034D+01 -0.121357D+01
                91            92            93            94            95 
      1   0.140431D+02 -0.295785D+01 -0.121724D+02 -0.491882D+01  0.515749D+01
      2   0.148432D+02  0.111531D+02  0.172278D+02  0.144999D+02 -0.316301D+02
      3  -0.288862D+02 -0.819521D+01 -0.505547D+01 -0.958112D+01  0.264726D+02
      4  -0.771398D+01 -0.276642D+01  0.870043D+01 -0.372859D+01  0.198424D+02
      5  -0.445581D+01 -0.335264D+01 -0.296619D+02 -0.650374D+01 -0.398542D+01
      6   0.645259D+01 -0.336679D+01 -0.456734D+01 -0.547704D+01  0.164864D+02
                96            97            98            99           100 
      1   0.634462D+01 -0.110952D+02  0.780579D+01 -0.112425D+02 -0.218201D+01
      2   0.944444D+01  0.173170D+02  0.120544D+01  0.178427D+02 -0.117136D+02
      3  -0.157891D+02 -0.622182D+01 -0.901124D+01 -0.660024D+01  0.138956D+02
      4   0.220584D+01  0.781656D+01  0.515910D+01 -0.354202D+01 -0.159985D+01
      5  -0.125790D+02 -0.277405D+02 -0.928241D+01 -0.119750D+02 -0.131617D+02
      6   0.983045D+01 -0.203556D+01  0.114775D+02 -0.115770D+02 -0.231926D-02
               101           102           103           104           105 
      1  -0.183012D+00  0.924309D+01  0.383700D+01 -0.354028D+01 -0.103550D+02
      2   0.507899D+01  0.144488D+02  0.443065D+01 -0.192981D+01 -0.816242D+01
      3  -0.489597D+01 -0.236919D+02 -0.826765D+01  0.547009D+01  0.185174D+02
      4   0.278816D+01 -0.115046D+00  0.211378D+01 -0.135641D+01 -0.134857D+01
      5   0.288460D+01  0.184701D+02  0.354964D+01 -0.470168D+01 -0.579671D+01
      6  -0.567523D+01 -0.154456D+01 -0.304418D+01  0.667313D+01  0.712399D+01
               106           107           108           109           110 
      1   0.554110D+01 -0.324563D+01 -0.212734D+02  0.482128D+01  0.255318D+01
      2   0.985173D+01 -0.453575D+01 -0.269514D+02 -0.151692D+02  0.108666D+01
      3  -0.153928D+02  0.778138D+01  0.482248D+02  0.103479D+02 -0.363984D+01
      4  -0.221188D+00 -0.170073D+01 -0.160721D+01 -0.114487D+02  0.701650D+01
      5   0.147943D+02 -0.436046D+01 -0.174559D+02  0.282098D+02 -0.596309D+01
      6  -0.146470D+01  0.692666D+01  0.196046D+01 -0.912566D+01  0.922388D+01
               111           112           113           114           115 
      1  -0.322798D+01  0.171227D+01 -0.186414D+01  0.239552D+01 -0.214664D+01
      2  -0.126687D+02  0.153588D+01  0.200579D+01  0.395623D+00 -0.757809D+01
      3   0.158967D+02 -0.324815D+01 -0.141651D+00 -0.279114D+01  0.972473D+01
      4  -0.844102D+01  0.717638D+01 -0.306651D+01  0.422326D+01 -0.518680D+01
      5   0.247712D+02 -0.563083D+01  0.508358D+01 -0.586775D+01  0.165517D+02
      6  -0.111235D+02  0.655002D+01 -0.654167D+01  0.839626D+01 -0.721751D+01
               116           117           118           119           120 
      1   0.186404D+01 -0.829609D+01 -0.354619D+01  0.146436D+02 -0.450204D+01
      2   0.379852D-01 -0.144219D+02  0.108737D+02 -0.263537D+02  0.297852D+01
      3  -0.190203D+01  0.227180D+02 -0.732749D+01  0.117101D+02  0.152352D+01
      4   0.262467D+01 -0.612917D+01 -0.711288D+01  0.140887D+02 -0.369819D+01
      5  -0.486180D+01  0.164304D+02  0.152147D+01 -0.456165D+01  0.278798D+01
      6   0.604030D+01 -0.923654D+01 -0.658910D+01  0.102017D+02 -0.616051D+01
               121           122           123           124           125 
      1   0.865150D+01 -0.368511D+02  0.718694D+01 -0.161051D+01  0.434575D+01
      2  -0.143209D+02  0.667111D+02 -0.934287D+01  0.260547D-01 -0.408756D+01
      3   0.566937D+01 -0.298599D+02  0.215593D+01  0.158446D+01 -0.258198D+00
      4   0.114405D+02 -0.100347D+02  0.669224D+00 -0.214606D+01  0.323285D+00
      5  -0.385288D+01  0.302347D+01 -0.825940D+00  0.255077D+01 -0.749916D+00
      6   0.440730D+01 -0.243735D+02  0.131946D+02 -0.297326D+01  0.118154D+02
               126           127           128           129           130 
      1  -0.583801D+01  0.224196D+02  0.313921D+01 -0.208702D+01  0.194873D+01
      2   0.573662D+01 -0.382889D+01  0.627389D+01  0.957347D+00  0.339664D+01
      3   0.101391D+00 -0.185907D+02 -0.941309D+01  0.112968D+01 -0.534537D+01
      4  -0.281848D+01  0.375392D+02  0.231932D+02 -0.132620D+02  0.146130D+02
      5   0.129568D+01 -0.227504D+02 -0.102523D+02  0.128505D+02 -0.519500D+01
      6  -0.362690D+01 -0.166798D+02 -0.115099D+02  0.130857D+02 -0.645269D+01
               131           132           133           134           135 
      1  -0.132503D+01  0.822259D+00 -0.277539D+01  0.978783D+00  0.118343D+01
      2   0.969814D+01 -0.358328D+01  0.240200D+01 -0.317388D+01 -0.408667D+01
      3  -0.837312D+01  0.276103D+01  0.373390D+00  0.219510D+01  0.290325D+01
      4   0.104596D+02 -0.532465D+01 -0.108607D+02 -0.672686D+01  0.844191D+01
      5  -0.496973D+01  0.337198D+01  0.127449D+02  0.520209D+01 -0.858469D+01
      6  -0.865178D+01  0.529380D+01  0.100067D+02  0.779432D+01 -0.811538D+01
               136           137           138           139           140 
      1  -0.144403D+01  0.151473D+01  0.226739D+00  0.253002D+01 -0.381500D+01
      2  -0.458484D+01 -0.164507D+01  0.518019D+01 -0.347148D+01  0.115247D+01
      3   0.602887D+01  0.130339D+00 -0.540693D+01  0.941458D+00  0.266254D+01
      4  -0.115495D+01  0.521791D+01  0.427957D+01  0.150313D+01 -0.298175D+01
      5  -0.553054D+01  0.144496D+01  0.122715D+02 -0.256567D+01 -0.258966D+01
      6   0.241553D+01 -0.284624D+01 -0.325396D+01 -0.134116D+01  0.196552D+01
               141           142           143           144           145 
      1   0.224505D+00 -0.185506D+01 -0.629252D+01 -0.291667D+02  0.713606D+01
      2   0.708743D+01  0.630213D+01  0.118502D+01 -0.271556D+02  0.674268D+01
      3  -0.731194D+01 -0.444707D+01  0.510750D+01  0.563224D+02 -0.138787D+02
      4  -0.148010D+01  0.450061D+01 -0.363259D+01 -0.850238D+01 -0.200805D+02
      5   0.402875D+01  0.111953D+02 -0.353894D+01 -0.252801D+02 -0.458061D+01
      6   0.524818D+01 -0.434544D+01  0.103463D+02  0.253431D+02  0.432257D+01
               146           147           148           149           150 
      1   0.959902D+00  0.220592D+01 -0.487376D+00 -0.154873D+02 -0.195527D+01
      2  -0.143858D+02 -0.173386D+01 -0.124454D+02  0.420411D+02  0.143111D+01
      3   0.134259D+02 -0.472061D+00  0.129328D+02 -0.265538D+02  0.524165D+00
      4   0.260619D+02  0.377505D+01  0.214580D+02 -0.348780D+02 -0.315738D+01
      5   0.683685D+01  0.487670D+01  0.524863D+01 -0.516678D+01 -0.390354D+01
      6  -0.826849D+01 -0.504792D+01 -0.675498D+01  0.142928D+02  0.783223D+01
               151           152           153           154           155 
      1   0.300600D+01 -0.332153D+00 -0.451894D+01  0.704394D+01 -0.936837D+00
      2   0.980792D+00 -0.690050D+01  0.196364D+01 -0.791382D+00  0.696632D+01
      3  -0.398679D+01  0.723265D+01  0.255531D+01 -0.625255D+01 -0.602948D+01
      4  -0.458764D+01  0.532591D+01 -0.493551D+01  0.198630D+02  0.184138D+02
      5   0.138148D+01 -0.296911D+01 -0.160577D+01  0.173634D+02  0.103959D+02
      6  -0.247384D+01  0.537775D+01  0.249009D+01  0.136386D+02  0.117590D+02
               156           157           158           159           160 
      1   0.118464D+01 -0.181290D+01 -0.651353D+01 -0.446427D+01  0.947054D+00
      2  -0.146482D+01  0.656287D+01  0.135202D+02  0.534002D+01 -0.189405D+01
      3   0.280187D+00 -0.474997D+01 -0.700664D+01 -0.875750D+00  0.946993D+00
      4   0.132947D+02  0.151052D+02  0.155390D+02  0.958212D+01  0.122266D+02
      5   0.151135D+02  0.743912D+01  0.928051D+01  0.728187D+01  0.148519D+02
      6   0.120894D+02  0.958547D+01  0.143120D+02  0.151763D+02  0.117826D+02
               161           162           163           164           165 
      1  -0.531628D+01 -0.689442D+01  0.110593D+02 -0.253813D+01  0.168343D+01
      2   0.460733D+01 -0.355164D+00 -0.118116D+02  0.612879D+01 -0.101691D+02
      3   0.708950D+00  0.724959D+01  0.752303D+00 -0.359066D+01  0.848565D+01
      4   0.108807D+02  0.130639D+02  0.245161D+02  0.145112D+02  0.172742D+02
      5   0.969811D+01  0.163638D+02  0.257993D+02  0.877688D+01  0.224760D+02
      6   0.175832D+02  0.198934D+02  0.173364D+02  0.105063D+02  0.161629D+02
               166           167           168           169           170 
      1  -0.946440D+00 -0.595486D+00 -0.113570D+01  0.294909D+01 -0.274102D+01
      2   0.367525D+01  0.244434D+01  0.138661D+01 -0.961832D+01  0.161015D+00
      3  -0.272881D+01 -0.184885D+01 -0.250918D+00  0.666922D+01  0.258000D+01
      4   0.753220D+01  0.543750D+01  0.342103D+01  0.155873D+02  0.599517D+01
      5   0.257620D+01  0.405745D+01  0.156496D+01  0.196453D+02  0.553441D+01
      6   0.445942D+01  0.284284D+01  0.635647D+01  0.121428D+02  0.121487D+02
               171           172           173           174           175 
      1  -0.480258D+01 -0.722819D+00 -0.950980D-01  0.707080D+00 -0.309130D+00
      2  -0.822131D+01  0.362668D+01  0.565752D+01 -0.360512D+01  0.547253D+01
      3   0.130239D+02 -0.290386D+01 -0.556243D+01  0.289804D+01 -0.516340D+01
      4   0.122494D+02  0.514734D+01  0.102540D+02 -0.163274D+01  0.971069D+01
      5   0.184587D+02  0.512714D+00  0.527626D+00  0.480087D+01  0.535209D+00
      6   0.176446D+02  0.592272D+00 -0.200301D+01  0.214074D+01 -0.206470D+01
               176           177           178           179           180 
      1  -0.166844D+02  0.561260D+01  0.264064D+00  0.111780D+02 -0.468938D+01
      2   0.426439D+02 -0.176203D+02 -0.456200D+01 -0.290293D+02  0.127282D+02
      3  -0.259595D+02  0.120077D+02  0.429794D+01  0.178513D+02 -0.803882D+01
      4   0.113771D+02 -0.535123D+01 -0.558819D+01 -0.947979D+01  0.465899D+01
      5  -0.304696D+01  0.218212D+01  0.312509D+01  0.272591D+01 -0.350765D+01
      6  -0.835426D+01  0.120459D+02  0.153190D+01  0.104621D+02 -0.155932D+02
               181           182           183           184           185 
      1  -0.368193D+01  0.113819D+02  0.109751D+02  0.606296D+01 -0.953199D+01
      2   0.389950D+00 -0.126492D+02 -0.240672D+01 -0.654866D+01  0.120416D+02
      3   0.329198D+01  0.126729D+01 -0.856840D+01  0.485705D+00 -0.250956D+01
      4  -0.182118D+02  0.110055D+02  0.123717D+02  0.859804D+01 -0.844358D+01
      5  -0.124429D+02  0.667389D+01  0.110273D+02  0.407935D+01 -0.582521D+01
      6   0.144844D+02 -0.156038D+02 -0.162381D+02 -0.890015D+01  0.104309D+02
               186           187           188           189           190 
      1  -0.689900D+01  0.759876D+01 -0.969681D+01 -0.135960D+02  0.676956D+01
      2   0.366654D+01 -0.205880D+01  0.485525D+01  0.968009D+00 -0.617790D+01
      3   0.323246D+01 -0.553995D+01  0.484157D+01  0.126280D+02 -0.591658D+00
      4  -0.658897D+01  0.118192D+02 -0.704610D+01 -0.753243D+01  0.425188D+01
      5  -0.345789D+01  0.107503D+02 -0.363268D+01 -0.725411D+01 -0.599089D+01
      6   0.122308D+02 -0.101416D+02  0.166499D+02  0.201013D+02 -0.121556D+01
               191           192           193           194           195 
      1   0.516030D+01 -0.428978D+01  0.113356D+02 -0.271750D+00 -0.149765D+01
      2  -0.345985D+01  0.518454D+01 -0.742035D+01  0.119976D+01  0.375496D+01
      3  -0.170044D+01 -0.894759D+00 -0.391521D+01 -0.928008D+00 -0.225730D+01
      4   0.350645D+01 -0.248351D+01  0.411577D+01  0.424496D+01 -0.748089D+01
      5  -0.353142D+01  0.128626D+02 -0.496601D+01 -0.734488D+01  0.121985D+02
      6  -0.695066D+00 -0.878204D-01 -0.226450D+00 -0.227693D+01  0.244857D+01
               196           197           198           199           200 
      1  -0.119218D+02  0.912945D-01  0.521605D+01  0.697460D+01 -0.562236D+01
      2   0.904410D+01  0.307858D+01 -0.154392D+02  0.900968D-01 -0.453774D+00
      3   0.287773D+01 -0.316988D+01  0.102232D+02 -0.706470D+01  0.607614D+01
      4  -0.110055D+01 -0.100409D+02  0.843544D+01 -0.870140D+01  0.142855D+02
      5   0.180537D+02  0.971206D+01 -0.322030D+02  0.706299D+00  0.322035D+01
      6  -0.135970D+01  0.397840D+01  0.982553D+00  0.156133D+01 -0.151327D+01
               201           202           203           204           205 
      1   0.136784D+01 -0.122361D+02 -0.381675D+01  0.335007D+00  0.181429D+01
      2  -0.104927D+01 -0.156084D+01  0.259213D+02  0.207314D+01 -0.136839D+01
      3  -0.318562D+00  0.137969D+02 -0.221045D+02 -0.240815D+01 -0.445906D+00
      4   0.280134D+01  0.247079D+02 -0.476510D+02 -0.736459D+01  0.344523D+01
      5   0.404677D+01  0.475582D+01 -0.655084D+01 -0.719350D+01  0.654287D+01
      6  -0.107165D+01 -0.276090D+01  0.878784D+01  0.801070D+01 -0.232709D+01
               206           207           208           209           210 
      1  -0.264490D+00  0.863325D+00  0.595067D+02  0.848910D+01  0.203457D+02
      2   0.227028D+01  0.489601D+00 -0.324618D+02 -0.515473D+01 -0.121754D+02
      3  -0.200579D+01 -0.135293D+01 -0.270449D+02 -0.333437D+01 -0.817036D+01
      4  -0.647664D+01 -0.454981D+01  0.427343D+01  0.101132D+02  0.165791D+01
      5  -0.479379D+01 -0.446802D+01  0.236131D+02  0.319381D+01  0.177371D+02
      6   0.703875D+01  0.285110D+01 -0.216152D+01  0.686950D+00 -0.147966D+01
               211           212           213           214           215 
      1   0.180134D+02  0.713720D+01  0.465814D+01  0.355017D+02  0.327561D+01
      2  -0.104464D+02 -0.168769D+01 -0.255405D+01 -0.205082D+02 -0.194166D+01
      3  -0.756699D+01 -0.544951D+01 -0.210409D+01 -0.149935D+02 -0.133395D+01
      4   0.121129D+02  0.268523D+01  0.374344D+01  0.137396D+01  0.689087D+01
      5   0.693048D+01  0.372714D+01  0.771797D+01  0.238819D+02  0.473706D+01
      6   0.105873D+01  0.189855D+01  0.186528D+01 -0.142782D+01  0.206648D+01
               216           217           218           219           220 
      1   0.148964D+02 -0.661656D+01 -0.490336D+01  0.142476D+02 -0.104766D+01
      2  -0.130247D+02 -0.573361D+01  0.159223D+01  0.446140D+01 -0.578241D+00
      3  -0.187175D+01  0.123502D+02  0.331113D+01 -0.187090D+02  0.162590D+01
      4   0.356105D+01  0.122085D+02  0.289035D+01 -0.628853D+01  0.288704D+01
      5   0.190130D+02 -0.205698D+02  0.366801D-01  0.125179D+02  0.651721D+00
      6  -0.129828D+01 -0.452449D+01 -0.852987D+01  0.104351D+02 -0.414205D+01
               221           222           223           224           225 
      1  -0.275776D+01  0.666023D+00  0.903417D+01  0.155874D+01 -0.107346D+02
      2   0.411368D+01 -0.265319D+01  0.265188D+01 -0.106801D+01 -0.907884D+01
      3  -0.135592D+01  0.198717D+01 -0.116860D+02 -0.490738D+00  0.198134D+02
      4  -0.326407D+00 -0.121823D+01 -0.571632D+01 -0.189306D+01  0.474754D+01
      5  -0.279066D+01  0.296048D+01  0.132701D+02  0.191566D+01 -0.743157D+01
      6  -0.261288D+01  0.271231D+01  0.514707D+01  0.406906D+01 -0.630941D+01
               226           227           228           229           230 
      1   0.103494D+02  0.249247D+01  0.183641D+01  0.390677D+01 -0.413045D+00
      2  -0.208757D+02 -0.466323D+01 -0.211361D+02 -0.811420D+01 -0.381980D+00
      3   0.105264D+02  0.217075D+01  0.192997D+02  0.420743D+01  0.795026D+00
      4  -0.450065D+01  0.502553D+01 -0.524762D+01  0.284740D+01  0.317744D+00
      5   0.283016D+02  0.179671D+01  0.301967D+02  0.905059D+01  0.585365D+01
      6  -0.224012D+01  0.689684D+01 -0.389494D+01  0.453408D+01  0.217868D+01
               231           232           233           234           235 
      1  -0.191436D+01  0.264475D+01 -0.506170D-01 -0.734229D+01 -0.206977D+00
      2  -0.966899D+01 -0.176168D+02 -0.362342D+01 -0.283722D+02  0.226786D+01
      3   0.115833D+02  0.149721D+02  0.367404D+01  0.357145D+02 -0.206089D+01
      4   0.227812D+01 -0.455459D+01  0.257361D+01 -0.294919D+01 -0.561044D+01
      5   0.101608D+02  0.255011D+02  0.281482D+01  0.313208D+02  0.282750D+01
      6   0.430298D+01 -0.219344D+01  0.588493D+01 -0.448899D+01 -0.372209D+01
               236           237           238           239           240 
      1  -0.767030D+00  0.893146D-02 -0.564391D+00 -0.218026D+02  0.563249D+01
      2  -0.556107D+01 -0.190359D+01 -0.650754D+01  0.483301D+02 -0.107476D+01
      3   0.632810D+01  0.189466D+01  0.707193D+01 -0.265275D+02 -0.455773D+01
      4   0.110368D+02 -0.169372D+01  0.127218D+02 -0.246949D+02  0.315117D+01
      5  -0.377138D+01  0.568582D+01 -0.529571D+01  0.664267D+01 -0.367372D+01
      6   0.542527D+01 -0.141063D+01  0.634104D+01 -0.314855D+02  0.119006D+02
               241           242           243 
      1  -0.616047D+00  0.432476D+00 -0.123017D+01
      2  -0.212611D+01  0.471106D+01  0.222526D+01
      3   0.274215D+01 -0.514354D+01 -0.995090D+00
      4   0.129852D+01 -0.240093D+01 -0.150844D+01
      5   0.318205D+01 -0.469636D+00  0.933764D+00
      6  -0.284889D+00  0.437368D+01  0.368435D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:36:30 2022, MaxMem=  6442450944 cpu:           15594.6 elap:            1952.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13872 -10.27430 -10.20330 -10.19934 -10.19414
 Alpha  occ. eigenvalues --  -10.19133 -10.18979 -10.18572 -10.17851 -10.17787
 Alpha  occ. eigenvalues --  -10.17655  -1.04086  -0.88767  -0.76822  -0.76292
 Alpha  occ. eigenvalues --   -0.73697  -0.68057  -0.66636  -0.63954  -0.58435
 Alpha  occ. eigenvalues --   -0.54191  -0.50369  -0.49153  -0.48776  -0.47388
 Alpha  occ. eigenvalues --   -0.45049  -0.42969  -0.42005  -0.41157  -0.40540
 Alpha  occ. eigenvalues --   -0.40100  -0.39189  -0.38679  -0.37851  -0.36826
 Alpha  occ. eigenvalues --   -0.35157  -0.34889  -0.33955  -0.32791  -0.31899
 Alpha  occ. eigenvalues --   -0.30351  -0.24819
 Alpha virt. eigenvalues --   -0.02726   0.01292   0.03265   0.03673   0.03719
 Alpha virt. eigenvalues --    0.06062   0.06630   0.06726   0.06920   0.07525
 Alpha virt. eigenvalues --    0.09562   0.09897   0.10203   0.10628   0.10781
 Alpha virt. eigenvalues --    0.10873   0.12305   0.12847   0.13377   0.14350
 Alpha virt. eigenvalues --    0.14829   0.15612   0.16036   0.16523   0.16616
 Alpha virt. eigenvalues --    0.17658   0.17924   0.18771   0.19908   0.20064
 Alpha virt. eigenvalues --    0.20529   0.21332   0.22056   0.22819   0.24072
 Alpha virt. eigenvalues --    0.24189   0.25296   0.25634   0.27062   0.27228
 Alpha virt. eigenvalues --    0.28155   0.28217   0.29025   0.29432   0.30232
 Alpha virt. eigenvalues --    0.30830   0.30926   0.31325   0.31949   0.32249
 Alpha virt. eigenvalues --    0.32481   0.32881   0.33095   0.34000   0.34433
 Alpha virt. eigenvalues --    0.34631   0.35449   0.35732   0.36282   0.36592
 Alpha virt. eigenvalues --    0.37197   0.37370   0.37493   0.37820   0.38685
 Alpha virt. eigenvalues --    0.38904   0.39332   0.39451   0.39716   0.40054
 Alpha virt. eigenvalues --    0.40640   0.40986   0.41512   0.42364   0.42663
 Alpha virt. eigenvalues --    0.43810   0.43910   0.44092   0.45006   0.45408
 Alpha virt. eigenvalues --    0.45929   0.46320   0.47783   0.48137   0.48981
 Alpha virt. eigenvalues --    0.49475   0.49794   0.50316   0.50787   0.51589
 Alpha virt. eigenvalues --    0.51668   0.52254   0.52455   0.52888   0.53507
 Alpha virt. eigenvalues --    0.54255   0.54595   0.54814   0.55368   0.55815
 Alpha virt. eigenvalues --    0.56142   0.56606   0.57158   0.57550   0.58892
 Alpha virt. eigenvalues --    0.59074   0.59443   0.59625   0.60825   0.61140
 Alpha virt. eigenvalues --    0.61439   0.62591   0.63043   0.63298   0.64124
 Alpha virt. eigenvalues --    0.64611   0.65124   0.65922   0.67253   0.67954
 Alpha virt. eigenvalues --    0.68343   0.68617   0.69118   0.69998   0.70643
 Alpha virt. eigenvalues --    0.70982   0.72969   0.73747   0.74892   0.75301
 Alpha virt. eigenvalues --    0.76007   0.77516   0.78265   0.79143   0.79927
 Alpha virt. eigenvalues --    0.80165   0.81373   0.83203   0.83699   0.84508
 Alpha virt. eigenvalues --    0.85418   0.85927   0.87226   0.88364   0.89240
 Alpha virt. eigenvalues --    0.90274   0.92576   0.93455   0.96100   0.96546
 Alpha virt. eigenvalues --    0.97287   0.98531   0.99336   0.99770   1.00555
 Alpha virt. eigenvalues --    1.01224   1.01775   1.02230   1.02899   1.03037
 Alpha virt. eigenvalues --    1.04147   1.04789   1.06313   1.07283   1.07738
 Alpha virt. eigenvalues --    1.09269   1.09745   1.10921   1.11694   1.14535
 Alpha virt. eigenvalues --    1.15871   1.16309   1.19037   1.21276   1.21852
 Alpha virt. eigenvalues --    1.25565   1.27793   1.28491   1.29465   1.30218
 Alpha virt. eigenvalues --    1.31854   1.32941   1.35125   1.35975   1.36451
 Alpha virt. eigenvalues --    1.38029   1.39198   1.41267   1.43331   1.46439
 Alpha virt. eigenvalues --    1.47289   1.47755   1.50488   1.51229   1.51962
 Alpha virt. eigenvalues --    1.54421   1.56283   1.58393   1.58914   1.60514
 Alpha virt. eigenvalues --    1.63457   1.65402   1.67100   1.68441   1.69747
 Alpha virt. eigenvalues --    1.71931   1.72353   1.74790   1.76545   1.77181
 Alpha virt. eigenvalues --    1.78465   1.80016   1.80993   1.81930   1.82913
 Alpha virt. eigenvalues --    1.84716   1.85666   1.87878   1.89079   1.89307
 Alpha virt. eigenvalues --    1.90425   1.91225   1.92833   1.93525   1.94516
 Alpha virt. eigenvalues --    1.95748   1.96285   1.97402   1.99798   2.01509
 Alpha virt. eigenvalues --    2.01856   2.02979   2.04227   2.05423   2.06546
 Alpha virt. eigenvalues --    2.07506   2.08566   2.10092   2.11358   2.12403
 Alpha virt. eigenvalues --    2.12818   2.16634   2.16966   2.17594   2.19913
 Alpha virt. eigenvalues --    2.20422   2.21656   2.22210   2.25182   2.26725
 Alpha virt. eigenvalues --    2.27739   2.28708   2.30416   2.32245   2.34154
 Alpha virt. eigenvalues --    2.34270   2.37213   2.38915   2.40272   2.40975
 Alpha virt. eigenvalues --    2.41896   2.43745   2.44765   2.48148   2.48503
 Alpha virt. eigenvalues --    2.51588   2.52125   2.53208   2.57637   2.58092
 Alpha virt. eigenvalues --    2.61789   2.62536   2.63902   2.64123   2.65920
 Alpha virt. eigenvalues --    2.67734   2.69562   2.69973   2.71786   2.74478
 Alpha virt. eigenvalues --    2.75837   2.79525   2.80840   2.81810   2.83835
 Alpha virt. eigenvalues --    2.87014   2.94112   2.95292   2.95760   3.00132
 Alpha virt. eigenvalues --    3.02202   3.03521   3.06649   3.09240   3.10792
 Alpha virt. eigenvalues --    3.11734   3.13398   3.15658   3.17247   3.18398
 Alpha virt. eigenvalues --    3.21361   3.21843   3.24448   3.25961   3.26201
 Alpha virt. eigenvalues --    3.29149   3.33272   3.48081   3.90076
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   18.850072  -1.118655  -0.339206  -0.062022  -1.481839  -0.580822
     2  C   -1.118655  14.068691  -0.312913   0.249430  -0.220650  -1.104625
     3  C   -0.339206  -0.312913   5.689227  -0.016749   0.107753   0.043995
     4  C   -0.062022   0.249430  -0.016749   5.031856   0.064791  -0.177520
     5  C   -1.481839  -0.220650   0.107753   0.064791   6.558029   0.153496
     6  C   -0.580822  -1.104625   0.043995  -0.177520   0.153496   7.182614
     7  C   -0.104475  -0.101463  -0.105996   0.116418   0.039718  -0.059582
     8  C   -0.199966  -2.352276   0.006364  -0.029196   0.077765   0.130748
     9  O    0.037329  -0.102247   0.007844   0.014659  -0.008906  -0.304166
    10  C   -2.216536  -0.062607  -0.039554  -0.075472   0.004126   0.147757
    11  C   -1.934137   0.104467   0.028939   0.050131   0.100743  -0.167843
    12  H   -0.070778   0.034315  -0.070703  -0.132328  -0.046577  -0.061983
    13  H   -0.004685  -0.007803  -0.152210  -0.089294   0.071684   0.053576
    14  H    0.063260  -0.046004   0.091896  -0.105882  -0.023457  -0.020372
    15  H   -0.085632  -0.051944  -0.136650   0.292503  -0.021210   0.042758
    16  H    0.052136  -0.051214  -0.023766   0.030997  -0.054843  -0.074623
    17  H    0.017871  -0.082754   0.016291  -0.058628   0.025241   0.149604
    18  H   -0.647773  -0.109636   0.012163  -0.202202   0.001321  -0.015023
    19  H    0.032543   0.387557  -0.019732   0.000858  -0.009305   0.022970
    20  H   -0.137261   0.289892  -0.006780   0.000321   0.006081   0.023621
    21  H   -0.045897   0.232630  -0.008361   0.000460   0.001799  -0.027192
    22  H   -0.004647  -0.048754  -0.035030  -0.027417  -0.041739   0.025783
    23  H    0.388879  -0.113699  -0.007770   0.003111   0.001136  -0.003351
    24  H    0.200115   0.008539   0.015047  -0.023791   0.056559  -0.015581
    25  H    0.193429  -0.130798   0.001279   0.002997  -0.051380  -0.011349
    26  H    0.091068  -0.008382  -0.000099  -0.005176   0.070050   0.003523
    27  H    0.376776  -0.082071  -0.000216  -0.000294  -0.008427   0.070038
               7          8          9         10         11         12
     1  C   -0.104475  -0.199966   0.037329  -2.216536  -1.934137  -0.070778
     2  C   -0.101463  -2.352276  -0.102247  -0.062607   0.104467   0.034315
     3  C   -0.105996   0.006364   0.007844  -0.039554   0.028939  -0.070703
     4  C    0.116418  -0.029196   0.014659  -0.075472   0.050131  -0.132328
     5  C    0.039718   0.077765  -0.008906   0.004126   0.100743  -0.046577
     6  C   -0.059582   0.130748  -0.304166   0.147757  -0.167843  -0.061983
     7  C    5.137609  -0.006007  -0.008133   0.037438  -0.013484   0.001510
     8  C   -0.006007   6.101633   0.028121   0.042324   0.002402  -0.029766
     9  O   -0.008133   0.028121   8.719465  -0.009599   0.025912   0.011287
    10  C    0.037438   0.042324  -0.009599   6.492043  -0.371684   0.019572
    11  C   -0.013484   0.002402   0.025912  -0.371684   6.098133  -0.008727
    12  H    0.001510  -0.029766   0.011287   0.019572  -0.008727   2.359308
    13  H   -0.034899   0.115392   0.011046   0.013673   0.000157  -0.836826
    14  H   -0.066330   0.004281   0.005432   0.004718   0.002238   0.265954
    15  H    0.032121  -0.008222  -0.006255  -0.057198  -0.007472  -0.550959
    16  H    0.359812  -0.011694  -0.028786  -0.009698  -0.016801   0.003672
    17  H   -0.104595   0.006905   0.051847   0.000726  -0.002107  -0.000253
    18  H   -0.143743   0.005081   0.012760   0.123463   0.122080   0.014499
    19  H    0.002471  -0.071666  -0.016839  -0.000091   0.003075  -0.050159
    20  H    0.000458   0.046704  -0.001449   0.029771  -0.014597   0.002204
    21  H    0.001968   0.002926   0.020750  -0.008920   0.016197   0.052218
    22  H    0.003792   0.016870  -0.002543   0.185314   0.032726   0.040987
    23  H    0.000344   0.053615   0.002364  -0.247987   0.028718  -0.008409
    24  H   -0.004673  -0.000656   0.001438  -0.228131   0.058503   0.003146
    25  H   -0.003001   0.021325   0.048739   0.027269   0.181926  -0.000140
    26  H   -0.029386   0.003797   0.000550   0.038068  -0.124752   0.000860
    27  H   -0.008517   0.019621  -0.013976   0.057612  -0.300460  -0.000416
              13         14         15         16         17         18
     1  C   -0.004685   0.063260  -0.085632   0.052136   0.017871  -0.647773
     2  C   -0.007803  -0.046004  -0.051944  -0.051214  -0.082754  -0.109636
     3  C   -0.152210   0.091896  -0.136650  -0.023766   0.016291   0.012163
     4  C   -0.089294  -0.105882   0.292503   0.030997  -0.058628  -0.202202
     5  C    0.071684  -0.023457  -0.021210  -0.054843   0.025241   0.001321
     6  C    0.053576  -0.020372   0.042758  -0.074623   0.149604  -0.015023
     7  C   -0.034899  -0.066330   0.032121   0.359812  -0.104595  -0.143743
     8  C    0.115392   0.004281  -0.008222  -0.011694   0.006905   0.005081
     9  O    0.011046   0.005432  -0.006255  -0.028786   0.051847   0.012760
    10  C    0.013673   0.004718  -0.057198  -0.009698   0.000726   0.123463
    11  C    0.000157   0.002238  -0.007472  -0.016801  -0.002107   0.122080
    12  H   -0.836826   0.265954  -0.550959   0.003672  -0.000253   0.014499
    13  H    2.338637  -0.328139   0.217307   0.000713  -0.004200  -0.000762
    14  H   -0.328139   2.397766  -1.036132  -0.000448   0.036975   0.156666
    15  H    0.217307  -1.036132   2.816424  -0.009191   0.000191  -0.273815
    16  H    0.000713  -0.000448  -0.009191   1.518310  -0.451719  -0.148291
    17  H   -0.004200   0.036975   0.000191  -0.451719   1.621461   0.085955
    18  H   -0.000762   0.156666  -0.273815  -0.148291   0.085955   2.780899
    19  H    0.033889  -0.000476   0.000973   0.000264   0.000267   0.000042
    20  H    0.000387  -0.000059  -0.000140  -0.001144   0.000521   0.002123
    21  H   -0.018463   0.001065  -0.002622  -0.000252   0.000029   0.001532
    22  H    0.009288   0.000307   0.020270   0.000193   0.001574   0.013753
    23  H    0.001968   0.001193  -0.002289  -0.000275   0.000007   0.003828
    24  H   -0.000204   0.003411   0.003068  -0.001787  -0.000671   0.053913
    25  H    0.000562   0.001858  -0.000137  -0.028208   0.006777   0.010200
    26  H    0.000159  -0.001295  -0.000618  -0.001487   0.003897   0.054573
    27  H    0.000329  -0.000209   0.000521  -0.004211   0.001638   0.000834
              19         20         21         22         23         24
     1  C    0.032543  -0.137261  -0.045897  -0.004647   0.388879   0.200115
     2  C    0.387557   0.289892   0.232630  -0.048754  -0.113699   0.008539
     3  C   -0.019732  -0.006780  -0.008361  -0.035030  -0.007770   0.015047
     4  C    0.000858   0.000321   0.000460  -0.027417   0.003111  -0.023791
     5  C   -0.009305   0.006081   0.001799  -0.041739   0.001136   0.056559
     6  C    0.022970   0.023621  -0.027192   0.025783  -0.003351  -0.015581
     7  C    0.002471   0.000458   0.001968   0.003792   0.000344  -0.004673
     8  C   -0.071666   0.046704   0.002926   0.016870   0.053615  -0.000656
     9  O   -0.016839  -0.001449   0.020750  -0.002543   0.002364   0.001438
    10  C   -0.000091   0.029771  -0.008920   0.185314  -0.247987  -0.228131
    11  C    0.003075  -0.014597   0.016197   0.032726   0.028718   0.058503
    12  H   -0.050159   0.002204   0.052218   0.040987  -0.008409   0.003146
    13  H    0.033889   0.000387  -0.018463   0.009288   0.001968  -0.000204
    14  H   -0.000476  -0.000059   0.001065   0.000307   0.001193   0.003411
    15  H    0.000973  -0.000140  -0.002622   0.020270  -0.002289   0.003068
    16  H    0.000264  -0.001144  -0.000252   0.000193  -0.000275  -0.001787
    17  H    0.000267   0.000521   0.000029   0.001574   0.000007  -0.000671
    18  H    0.000042   0.002123   0.001532   0.013753   0.003828   0.053913
    19  H    0.741269  -0.039377  -0.058583   0.000074  -0.000622  -0.000475
    20  H   -0.039377   0.792824  -0.057869   0.002598  -0.004462  -0.001356
    21  H   -0.058583  -0.057869   0.782133  -0.010330   0.020660   0.002293
    22  H    0.000074   0.002598  -0.010330   1.197612  -0.126078  -0.121794
    23  H   -0.000622  -0.004462   0.020660  -0.126078   0.973956  -0.068257
    24  H   -0.000475  -0.001356   0.002293  -0.121794  -0.068257   0.975664
    25  H   -0.002567   0.000595   0.002374  -0.005387   0.006774   0.004680
    26  H   -0.000262   0.003689  -0.001502   0.010052  -0.027419   0.017020
    27  H    0.001692   0.025836  -0.004280   0.004761   0.033189  -0.028008
              25         26         27
     1  C    0.193429   0.091068   0.376776
     2  C   -0.130798  -0.008382  -0.082071
     3  C    0.001279  -0.000099  -0.000216
     4  C    0.002997  -0.005176  -0.000294
     5  C   -0.051380   0.070050  -0.008427
     6  C   -0.011349   0.003523   0.070038
     7  C   -0.003001  -0.029386  -0.008517
     8  C    0.021325   0.003797   0.019621
     9  O    0.048739   0.000550  -0.013976
    10  C    0.027269   0.038068   0.057612
    11  C    0.181926  -0.124752  -0.300460
    12  H   -0.000140   0.000860  -0.000416
    13  H    0.000562   0.000159   0.000329
    14  H    0.001858  -0.001295  -0.000209
    15  H   -0.000137  -0.000618   0.000521
    16  H   -0.028208  -0.001487  -0.004211
    17  H    0.006777   0.003897   0.001638
    18  H    0.010200   0.054573   0.000834
    19  H   -0.002567  -0.000262   0.001692
    20  H    0.000595   0.003689   0.025836
    21  H    0.002374  -0.001502  -0.004280
    22  H   -0.005387   0.010052   0.004761
    23  H    0.006774  -0.027419   0.033189
    24  H    0.004680   0.017020  -0.028008
    25  H    1.045514  -0.174109  -0.058928
    26  H   -0.174109   1.038713  -0.065059
    27  H   -0.058928  -0.065059   0.883475
 Mulliken charges:
               1
     1  C   -5.269148
     2  C   -3.267026
     3  C    1.254936
     4  C    1.147441
     5  C    0.628040
     6  C    0.573550
     7  C    1.060626
     8  C    2.023576
     9  O   -0.496646
    10  C    2.103603
    11  C    2.105717
    12  H    0.058492
    13  H   -0.391282
    14  H   -0.408215
    15  H   -0.175651
    16  H   -0.047657
    17  H   -0.322847
    18  H   -0.914439
    19  H    0.042211
    20  H    0.036869
    21  H    0.105235
    22  H   -0.142234
    23  H    0.090878
    24  H    0.091987
    25  H   -0.090292
    26  H    0.103527
    27  H    0.098749
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -5.269148
     2  C   -3.267026
     3  C    0.922146
     4  C    0.563575
     5  C   -0.286399
     6  C    0.573550
     7  C    0.690121
     8  C    2.207892
     9  O   -0.496646
    10  C    2.144233
    11  C    2.217701
 Electronic spatial extent (au):  <R**2>=           1477.3200
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.7078    Y=              1.1490    Z=             -0.1889  Tot=              3.8863
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -80.6951   YY=            -67.7459   ZZ=            -67.1395
   XY=             -2.7439   XZ=              1.2680   YZ=              0.4718
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.8349   YY=              4.1143   ZZ=              4.7206
   XY=             -2.7439   XZ=              1.2680   YZ=              0.4718
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             30.7965  YYY=              1.1766  ZZZ=              2.2486  XYY=             -3.2804
  XXY=              7.7293  XXZ=             -4.3019  XZZ=             -2.3025  YZZ=              1.1915
  YYZ=              0.9947  XYZ=              0.2327
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -918.1337 YYYY=           -654.9818 ZZZZ=           -559.8231 XXXY=             -8.7679
 XXXZ=             17.1042 YYYX=             -7.1248 YYYZ=             -1.0032 ZZZX=             -5.0221
 ZZZY=              4.7450 XXYY=           -242.8620 XXZZ=           -221.9658 YYZZ=           -206.9346
 XXYZ=              1.6712 YYXZ=             -1.3514 ZZXY=              2.1342
 N-N= 6.881604640785D+02 E-N=-2.454433160281D+03  KE= 4.602392901699D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:36:30 2022, MaxMem=  6442450944 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.39959271D+00 4.37978849D-01-6.79413072D-02
 Polarizability= 1.34726838D+02 1.39843496D+00 1.29803742D+02
                -3.32858223D-01 1.63336491D+00 1.26039997D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3457    0.3448        0.8829    0.8807
 2     -0.3457   -0.3448       -0.9210   -0.9198       -3.4057   -3.4092
 3     -0.8829   -0.8807        5.2694    5.2725        0.9210    0.9198
 4      0.9210    0.9198       -0.0000    0.0000       -0.8844   -0.8807
 5     -1.8637   -1.8632        0.8844    0.8807        0.3475    0.3448
 6     -0.9210   -0.9198       -0.3475   -0.3448        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0344   -1.0344        2.6421    2.6421
 2      2.7595    2.7595        0.0000    0.0000        2.6421    2.6421
 3      2.7595    2.7595       -1.0344   -1.0344        0.0000    0.0000
 4     -1.0344   -1.0344       -2.7595   -2.7595      -10.2277  -10.2277
 5     -2.6421   -2.6421       15.8174   15.8174        2.7595    2.7595
 6     -5.5897   -5.5897        2.6421    2.6421        1.0344    1.0344
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0322    0.0000       -1.3921   -1.3792       -3.6861   -3.5228
 2      1.3886    1.3792        3.2572    3.6793       13.4492   13.6369
 3      3.9919    3.5228      -21.7804  -21.0898       -3.4013   -3.6793
 4     -3.8536   -3.6793       -0.0389    0.0000        3.3875    3.5228
 5      7.3938    7.4529       -3.6465   -3.5228       -1.3747   -1.3792
 6      3.4595    3.6793        1.1957    1.3792       -0.0885    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0810    0.0000        8.2300    8.2323        2.6662    2.6368
 2     -8.2301   -8.2323        4.2963    4.3106        9.3355    9.4910
 3     -2.7427   -2.6368       11.9475   11.6456       -4.1824   -4.3106
 4     -4.4312   -4.3106        0.0878    0.0000       -2.6803   -2.6368
 5    -20.9776  -21.1366        2.6951    2.6368        7.9092    8.2323
 6      4.3373    4.3106       -8.2997   -8.2323        0.0129    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.3395   -8.5777       15.1522   15.4070       23.7689   23.3473
 2    -10.8022  -11.0588       25.6041   25.5368       23.7557   23.3473
 3    -10.9180  -11.0588       15.2143   15.4070       21.5833   21.0662
 4    -10.7508  -10.1298        3.1585    2.4811       15.9232   16.0588
 5     -1.8847   -2.2811       16.0465   16.2972       -2.6859   -2.4811
 6    -32.0508  -32.3560        2.5160    2.2811        9.8095   10.1298
 Full mass-weighted force constant matrix:
 Low frequencies ---  -14.7961   -5.3721   -2.3221   -0.0003    0.0001    0.0004
 Low frequencies ---  108.2764  169.2832  183.7979
 Diagonal vibrational polarizability:
        6.4732974       8.9220413      10.6879565
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    108.2665               169.2804               183.7967
 Red. masses --      4.5072                 1.1782                 1.1188
 Frc consts  --      0.0311                 0.0199                 0.0223
 IR Inten    --      5.5281                 0.1488                 0.0998
 RamAct Fr= 1--      1.0447                 0.1847                 0.0908
  Dep-P Fr= 1--      0.7482                 0.7074                 0.7472
  Dep-U Fr= 1--      0.8560                 0.8286                 0.8553
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1490                 0.0255                 0.0129
 AlphaG Fr= 1--      0.0007                -0.0011                -0.0006
 Gamma2 Fr= 1--      0.2279                -0.0537                 0.1409
 Delta2 Fr= 1--     -0.0785                 0.0281                 0.0058
 Raman1 Fr= 1--       4.179                  0.739                  0.363
 ROA1   Fr= 1--      19.368                 -4.253                 13.713
 CID1   Fr= 1--       4.635                 -5.757                 37.750
 Raman2 Fr= 1--       1.789                  0.306                  0.155
 ROA2   Fr= 1--       6.099                 -1.513                  3.336
 CID2   Fr= 1--       3.410                 -4.945                 21.472
 Raman3 Fr= 1--       3.577                  0.612                  0.311
 ROA3   Fr= 1--      19.368                 -4.253                 13.713
 CID3   Fr= 1--       5.414                 -6.947                 44.135
 RC180  Fr= 1--       0.712                  0.657                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.06    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.02
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02  -0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.02    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.08  -0.12    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     8   6     0.01   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.02
     9   8     0.09  -0.24   0.28    -0.03   0.02  -0.05    -0.01   0.00  -0.02
    10   6    -0.03  -0.07   0.06    -0.01   0.01  -0.03    -0.01  -0.05  -0.01
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.04   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.02   0.16   0.02    -0.06   0.05   0.10    -0.05   0.05   0.06
    14   1     0.25   0.09  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.26  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.01   0.05  -0.31    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.01   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.11    -0.28  -0.11   0.41
    20   1    -0.08   0.05  -0.18    -0.08  -0.00  -0.03     0.57  -0.11  -0.03
    21   1     0.05   0.09  -0.08     0.08  -0.02   0.09    -0.20   0.24  -0.47
    22   1    -0.02  -0.21  -0.01    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.21     0.15  -0.03   0.34    -0.04  -0.06   0.05
    24   1    -0.04   0.01   0.03     0.00   0.39  -0.23     0.01  -0.02  -0.05
    25   1    -0.13   0.21   0.03     0.16   0.25   0.22     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.33   0.00   0.02    -0.25  -0.05  -0.04     0.02   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.7226               225.4453               241.2777
 Red. masses --      1.8810                 1.1644                 2.5378
 Frc consts  --      0.0525                 0.0349                 0.0870
 IR Inten    --      0.3150                 0.4051                 1.0520
 RamAct Fr= 1--      0.3140                 0.1363                 0.6914
  Dep-P Fr= 1--      0.7489                 0.7413                 0.5987
  Dep-U Fr= 1--      0.8564                 0.8514                 0.7490
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0019
 Beta2  Fr= 1--      0.0448                 0.0193                 0.0863
 AlphaG Fr= 1--      0.0002                 0.0008                 0.0019
 Gamma2 Fr= 1--      0.0679                -0.0267                 0.1415
 Delta2 Fr= 1--     -0.0499                 0.0611                 0.0468
 Raman1 Fr= 1--       1.256                  0.545                  2.766
 ROA1   Fr= 1--       4.922                 -0.612                 15.080
 CID1   Fr= 1--       3.919                 -1.123                  5.453
 Raman2 Fr= 1--       0.538                  0.232                  1.036
 ROA2   Fr= 1--       2.030                 -1.130                  3.022
 CID2   Fr= 1--       3.773                 -4.869                  2.917
 Raman3 Fr= 1--       1.076                  0.464                  2.071
 ROA3   Fr= 1--       4.922                 -0.612                 15.080
 CID3   Fr= 1--       4.576                 -1.319                  7.280
 RC180  Fr= 1--       0.713                  0.703                  0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.04  -0.04    -0.05   0.01  -0.01    -0.11   0.02   0.00
     4   6    -0.01  -0.01  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01   0.00  -0.00     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.03   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.00  -0.00  -0.03     0.26  -0.05   0.06
     9   8     0.02   0.00   0.04    -0.00   0.03   0.02    -0.02   0.09   0.04
    10   6     0.07   0.14   0.08     0.03   0.03   0.03    -0.02  -0.03   0.00
    11   6    -0.06  -0.12  -0.10    -0.04   0.00  -0.00    -0.14  -0.09  -0.09
    12   1     0.11  -0.06   0.03    -0.10   0.02  -0.05    -0.18   0.05  -0.07
    13   1     0.08  -0.07  -0.11    -0.07   0.03   0.05    -0.15   0.04   0.10
    14   1    -0.06  -0.04  -0.03     0.04   0.01  -0.01    -0.01   0.03  -0.00
    15   1    -0.02   0.04  -0.01     0.01  -0.06  -0.03    -0.04  -0.03  -0.08
    16   1    -0.00   0.02  -0.00     0.08  -0.05   0.02     0.06   0.04   0.01
    17   1     0.01   0.02  -0.01     0.03  -0.01   0.07     0.03   0.02   0.01
    18   1     0.01   0.01  -0.02     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.27  -0.04   0.31     0.03   0.01  -0.08     0.32  -0.28  -0.02
    20   1     0.16  -0.01   0.10    -0.04  -0.01  -0.05     0.35  -0.04   0.09
    21   1    -0.24   0.00  -0.18     0.03   0.00   0.00     0.38   0.09   0.15
    22   1     0.04   0.06   0.04    -0.08  -0.22  -0.12     0.02   0.02   0.03
    23   1     0.27   0.15   0.20     0.22   0.01   0.34    -0.07  -0.03  -0.06
    24   1    -0.03   0.36   0.09    -0.01   0.37  -0.08    -0.01  -0.12   0.04
    25   1    -0.02  -0.01  -0.03    -0.18  -0.31  -0.25    -0.14  -0.01  -0.10
    26   1     0.05  -0.36  -0.09    -0.34   0.28   0.17    -0.10  -0.29  -0.03
    27   1    -0.26  -0.13  -0.25     0.35   0.06   0.10    -0.29  -0.10  -0.20
                      7                      8                      9
                      A                      A                      A
 Frequencies --    262.5216               290.7075               300.7249
 Red. masses --      2.2865                 1.9338                 2.9022
 Frc consts  --      0.0928                 0.0963                 0.1546
 IR Inten    --      0.9037                 0.4378                 2.6179
 RamAct Fr= 1--      1.0367                 0.4229                 1.0631
  Dep-P Fr= 1--      0.6374                 0.3846                 0.5888
  Dep-U Fr= 1--      0.7785                 0.5555                 0.7412
 Alpha2 Fr= 1--      0.0021                 0.0033                 0.0032
 Beta2  Fr= 1--      0.1345                 0.0392                 0.1313
 AlphaG Fr= 1--      0.0046                 0.0134                -0.0055
 Gamma2 Fr= 1--     -0.0386                -0.0148                 0.2312
 Delta2 Fr= 1--     -0.0671                -0.0150                 0.1694
 Raman1 Fr= 1--       4.147                  1.692                  4.252
 ROA1   Fr= 1--      -5.858                 -1.903                 27.616
 CID1   Fr= 1--      -1.413                 -1.125                  6.494
 Raman2 Fr= 1--       1.614                  0.470                  1.576
 ROA2   Fr= 1--      -0.390                 -0.235                  4.194
 CID2   Fr= 1--      -0.242                 -0.501                  2.662
 Raman3 Fr= 1--       3.229                  0.940                  3.152
 ROA3   Fr= 1--      -5.858                 -1.903                 27.616
 CID3   Fr= 1--      -1.815                 -2.025                  8.762
 RC180  Fr= 1--       0.557                  0.111                  0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03  -0.00     0.02   0.04  -0.04    -0.06  -0.02  -0.00
     3   6     0.04   0.06   0.02     0.11   0.00  -0.05     0.18  -0.10  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.02   0.01  -0.04     0.03   0.02  -0.02    -0.08   0.04   0.00
     7   6    -0.06   0.04  -0.06     0.03  -0.04   0.08    -0.05   0.03  -0.02
     8   6    -0.01  -0.04   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.01  -0.08  -0.03     0.05  -0.04  -0.01    -0.11   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.07
    11   6     0.02  -0.06  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.01
    12   1    -0.02   0.06  -0.03     0.29   0.02   0.09     0.37  -0.19   0.19
    13   1     0.04   0.16   0.07     0.19  -0.09  -0.24     0.31  -0.12  -0.28
    14   1     0.25   0.08   0.01    -0.27  -0.03   0.07    -0.05  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.04   0.05   0.10
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.03  -0.03
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.04
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.05  -0.04   0.04
    19   1    -0.04  -0.16   0.24    -0.01  -0.06   0.10     0.13  -0.10  -0.12
    20   1     0.03   0.11   0.33     0.04   0.08   0.14     0.24  -0.12  -0.17
    21   1    -0.03  -0.14   0.22    -0.00  -0.05   0.08     0.17   0.19  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.16   0.04  -0.09
    23   1    -0.08   0.03  -0.13    -0.06  -0.15   0.23    -0.01   0.07  -0.05
    24   1     0.00   0.03  -0.20     0.01   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.07  -0.31  -0.20    -0.08   0.10  -0.02     0.08  -0.17   0.03
    26   1    -0.17   0.08   0.06    -0.07   0.02  -0.00     0.04   0.08  -0.00
    27   1     0.29  -0.01  -0.07    -0.14   0.03   0.02     0.23  -0.00   0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.8211               395.4766               415.3502
 Red. masses --      2.4644                 2.4291                 2.1393
 Frc consts  --      0.2150                 0.2238                 0.2175
 IR Inten    --      0.9753                 0.2169                 1.6814
 RamAct Fr= 1--      0.5471                 1.8854                 0.5409
  Dep-P Fr= 1--      0.4128                 0.1941                 0.6527
  Dep-U Fr= 1--      0.5844                 0.3251                 0.7899
 Alpha2 Fr= 1--      0.0039                 0.0260                 0.0009
 Beta2  Fr= 1--      0.0533                 0.1022                 0.0712
 AlphaG Fr= 1--     -0.0153                -0.0166                -0.0069
 Gamma2 Fr= 1--     -0.1882                -0.2683                 0.2430
 Delta2 Fr= 1--     -0.0512                -0.2303                 0.1467
 Raman1 Fr= 1--       2.188                  7.542                  2.164
 ROA1   Fr= 1--     -19.705                -33.129                 28.018
 CID1   Fr= 1--      -9.005                 -4.393                 12.949
 Raman2 Fr= 1--       0.639                  1.226                  0.855
 ROA2   Fr= 1--      -4.107                 -4.597                  4.658
 CID2   Fr= 1--      -6.423                 -3.750                  5.451
 Raman3 Fr= 1--       1.279                  2.452                  1.709
 ROA3   Fr= 1--     -19.705                -33.129                 28.018
 CID3   Fr= 1--     -15.408                -13.513                 16.394
 RC180  Fr= 1--       0.169                 -0.350                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.09    -0.00   0.02  -0.01    -0.03   0.07   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.01  -0.09   0.08    -0.02   0.06  -0.04     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.03    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.04    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.02  -0.04     0.00  -0.05   0.14
     8   6    -0.00   0.09  -0.04     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.03  -0.07    -0.04  -0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.07   0.02   0.02
    11   6    -0.00  -0.13   0.01     0.18  -0.08  -0.06     0.01  -0.01  -0.02
    12   1    -0.01  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.17  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.12   0.06  -0.10    -0.05   0.06  -0.02     0.20  -0.30   0.00
    16   1    -0.10   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.06   0.03  -0.02    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.05     0.01  -0.05   0.03     0.03   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.04   0.04  -0.03
    21   1    -0.03   0.16  -0.12     0.02   0.02   0.06     0.03   0.15  -0.01
    22   1    -0.18  -0.13  -0.12     0.25  -0.34   0.08    -0.03  -0.01   0.02
    23   1    -0.12  -0.06   0.01    -0.04  -0.20   0.38    -0.14   0.01   0.03
    24   1     0.09  -0.02  -0.22    -0.02  -0.13   0.22    -0.04  -0.04   0.02
    25   1    -0.08  -0.31  -0.12     0.21  -0.31   0.05     0.04  -0.08   0.04
    26   1    -0.13  -0.19   0.17     0.20  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    476.5944               524.9869               560.9878
 Red. masses --      3.2781                 2.9378                 4.2168
 Frc consts  --      0.4387                 0.4771                 0.7819
 IR Inten    --      0.9023                 6.3654                 3.2843
 RamAct Fr= 1--      2.6309                 0.8659                 7.3667
  Dep-P Fr= 1--      0.5847                 0.3973                 0.1969
  Dep-U Fr= 1--      0.7380                 0.5686                 0.3290
 Alpha2 Fr= 1--      0.0081                 0.0065                 0.1009
 Beta2  Fr= 1--      0.3236                 0.0821                 0.4040
 AlphaG Fr= 1--     -0.0115                 0.0058                -0.1276
 Gamma2 Fr= 1--     -1.1306                 0.6211                -0.3774
 Delta2 Fr= 1--     -0.0760                 0.0819                 0.3939
 Raman1 Fr= 1--      10.524                  3.463                 29.467
 ROA1   Fr= 1--    -110.972                 62.245                -23.625
 CID1   Fr= 1--     -10.545                 17.972                 -0.802
 Raman2 Fr= 1--       3.883                  0.985                  4.848
 ROA2   Fr= 1--     -26.527                 14.251                -12.209
 CID2   Fr= 1--      -6.832                 14.472                 -2.519
 Raman3 Fr= 1--       7.766                  1.969                  9.695
 ROA3   Fr= 1--    -110.972                 62.245                -23.625
 CID3   Fr= 1--     -14.290                 31.606                 -2.437
 RC180  Fr= 1--       0.476                  0.137                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.06   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.03  -0.01  -0.09
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.00   0.03     0.02   0.06  -0.02    -0.06  -0.18   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.13   0.00    -0.14  -0.02   0.15
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.06    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.12  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.07  -0.07    -0.05   0.00  -0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.17    -0.06   0.03  -0.13
    13   1     0.10  -0.06  -0.03    -0.07   0.04   0.16    -0.08  -0.07   0.02
    14   1     0.12   0.04  -0.11     0.08   0.09  -0.13     0.14  -0.08  -0.07
    15   1     0.10  -0.11   0.11     0.07  -0.03   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.06     0.00  -0.33  -0.09    -0.35   0.14   0.11
    17   1    -0.15  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.10  -0.06
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.10   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.08  -0.04  -0.06    -0.14  -0.07  -0.02     0.02  -0.07  -0.05
    21   1    -0.05  -0.00  -0.03    -0.15  -0.31  -0.10     0.02  -0.05  -0.04
    22   1     0.31  -0.19  -0.11    -0.16  -0.05  -0.05     0.13  -0.11   0.00
    23   1     0.05  -0.11   0.05    -0.21  -0.02  -0.01    -0.15  -0.04   0.11
    24   1     0.21  -0.13  -0.06     0.11  -0.08  -0.15    -0.07  -0.09   0.09
    25   1    -0.15   0.20  -0.36    -0.02  -0.12   0.03     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.17   0.13     0.06   0.21  -0.22
    27   1    -0.15   0.09  -0.14    -0.02  -0.01  -0.11     0.08   0.09  -0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    576.5128               619.7480               652.8572
 Red. masses --      3.6301                 2.6461                 3.7551
 Frc consts  --      0.7109                 0.5988                 0.9430
 IR Inten    --      1.0964                 1.4566                 2.8125
 RamAct Fr= 1--      2.7107                 2.7119                35.0548
  Dep-P Fr= 1--      0.4995                 0.5508                 0.0167
  Dep-U Fr= 1--      0.6662                 0.7103                 0.0328
 Alpha2 Fr= 1--      0.0134                 0.0103                 0.7492
 Beta2  Fr= 1--      0.3010                 0.3211                 0.1917
 AlphaG Fr= 1--     -0.0262                -0.0885                 0.4298
 Gamma2 Fr= 1--      0.2854                 0.3172                -0.4056
 Delta2 Fr= 1--     -0.6043                 0.2513                 0.0997
 Raman1 Fr= 1--      10.843                 10.848                140.219
 ROA1   Fr= 1--       8.062                 38.494                -35.749
 CID1   Fr= 1--       0.744                  3.549                 -0.255
 Raman2 Fr= 1--       3.612                  3.853                  2.301
 ROA2   Fr= 1--      11.684                  5.603                -10.533
 CID2   Fr= 1--       3.235                  1.454                 -4.578
 Raman3 Fr= 1--       7.224                  7.705                  4.602
 ROA3   Fr= 1--       8.062                 38.494                -35.749
 CID3   Fr= 1--       1.116                  4.996                 -7.768
 RC180  Fr= 1--       0.332                  0.421                 -0.934
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.05  -0.01    -0.04   0.05  -0.02
     2   6     0.06   0.10  -0.05     0.04   0.06  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.03  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.13  -0.01    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.05  -0.09   0.01
     6   6    -0.06   0.12  -0.12     0.09  -0.14   0.19     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.01    -0.04  -0.08   0.05     0.04  -0.19  -0.18
     8   6     0.04   0.17   0.05     0.02   0.11   0.04     0.04   0.21   0.09
     9   8    -0.02   0.01   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.13   0.03  -0.22     0.04   0.03  -0.11    -0.04  -0.14   0.13
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.04  -0.13   0.10
    14   1    -0.00  -0.09  -0.02     0.03   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.15   0.05     0.02  -0.00   0.03    -0.07   0.01  -0.07
    16   1    -0.21  -0.27  -0.06    -0.12   0.50   0.14    -0.07  -0.34  -0.22
    17   1     0.02   0.07   0.16    -0.15  -0.29  -0.53     0.03  -0.18  -0.10
    18   1    -0.14   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.07     0.00   0.08   0.07     0.01   0.35   0.12
    20   1     0.05   0.23   0.10     0.01   0.20   0.12    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.19   0.04
    22   1     0.03   0.03  -0.09    -0.09   0.05   0.03    -0.04  -0.00   0.06
    23   1     0.18  -0.01  -0.19     0.01   0.02  -0.03    -0.14   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.07   0.04   0.01    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.05  -0.03     0.04   0.09  -0.17
    27   1    -0.12  -0.10   0.26     0.05  -0.05   0.12     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    714.5170               756.3928               836.5770
 Red. masses --      3.0185                 2.0615                 1.5109
 Frc consts  --      0.9079                 0.6949                 0.6230
 IR Inten    --      0.5088                10.7057                 0.4529
 RamAct Fr= 1--      6.1110                 3.3088                 1.8271
  Dep-P Fr= 1--      0.4783                 0.6675                 0.1844
  Dep-U Fr= 1--      0.6471                 0.8006                 0.3114
 Alpha2 Fr= 1--      0.0333                 0.0049                 0.0259
 Beta2  Fr= 1--      0.6591                 0.4415                 0.0948
 AlphaG Fr= 1--      0.0577                 0.0143                 0.0902
 Gamma2 Fr= 1--      2.3607                 0.0968                -0.8500
 Delta2 Fr= 1--      0.8981                -0.0541                -0.2669
 Raman1 Fr= 1--      24.444                 13.235                  7.308
 ROA1   Fr= 1--     255.362                  7.561                -90.139
 CID1   Fr= 1--      10.447                  0.571                -12.334
 Raman2 Fr= 1--       7.909                  5.298                  1.138
 ROA2   Fr= 1--      49.471                  2.756                -18.264
 CID2   Fr= 1--       6.255                  0.520                -16.051
 Raman3 Fr= 1--      15.818                 10.596                  2.276
 ROA3   Fr= 1--     255.362                  7.561                -90.139
 CID3   Fr= 1--      16.144                  0.714                -39.608
 RC180  Fr= 1--       0.294                  0.601                 -0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.06  -0.04     0.01   0.01   0.02
     2   6     0.02   0.03  -0.10     0.20  -0.04   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.04  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.02   0.10    -0.03  -0.05  -0.03     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.08   0.05    -0.08  -0.05   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.07  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02     0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.06   0.07  -0.22    -0.24   0.15  -0.39    -0.30  -0.19  -0.22
    13   1    -0.04   0.07  -0.03    -0.14   0.02   0.44    -0.03   0.25   0.25
    14   1    -0.11  -0.16   0.17    -0.20  -0.12  -0.01    -0.35  -0.26   0.01
    15   1    -0.08   0.04  -0.03    -0.01   0.28   0.01    -0.03   0.48  -0.13
    16   1    -0.11   0.28   0.07     0.04   0.01   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.26     0.03   0.14   0.16    -0.15  -0.11  -0.05
    18   1     0.15   0.10  -0.00     0.03  -0.15  -0.01    -0.01  -0.02   0.12
    19   1    -0.05   0.01   0.02    -0.03   0.33   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.20  -0.11     0.10   0.21   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35  -0.00   0.09     0.01   0.00  -0.00     0.03  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.08   0.02   0.05     0.02  -0.01  -0.00
    25   1    -0.02  -0.07  -0.10     0.02   0.05  -0.03    -0.01   0.00  -0.03
    26   1    -0.02  -0.16   0.13     0.02   0.10  -0.12    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    862.6092               873.0425               926.1076
 Red. masses --      2.6506                 2.2011                 2.5982
 Frc consts  --      1.1620                 0.9885                 1.3129
 IR Inten    --      2.5908                 0.9058                 1.5820
 RamAct Fr= 1--      4.6560                10.9731                 7.1366
  Dep-P Fr= 1--      0.1377                 0.2104                 0.1816
  Dep-U Fr= 1--      0.2421                 0.3477                 0.3074
 Alpha2 Fr= 1--      0.0742                 0.1449                 0.1017
 Beta2  Fr= 1--      0.1879                 0.6359                 0.3657
 AlphaG Fr= 1--      0.0221                -0.2781                -0.0079
 Gamma2 Fr= 1--     -0.8016                -0.2215                 2.9963
 Delta2 Fr= 1--     -0.5363                -0.1498                 0.4088
 Raman1 Fr= 1--      18.624                 43.893                 28.546
 ROA1   Fr= 1--     -94.115                -26.062                300.722
 CID1   Fr= 1--      -5.053                 -0.594                 10.534
 Raman2 Fr= 1--       2.254                  7.631                  4.388
 ROA2   Fr= 1--     -14.948                 -4.119                 68.640
 CID2   Fr= 1--      -6.631                 -0.540                 15.642
 Raman3 Fr= 1--       4.509                 15.262                  8.776
 ROA3   Fr= 1--     -94.115                -26.062                300.722
 CID3   Fr= 1--     -20.875                 -1.708                 34.266
 RC180  Fr= 1--      -0.516                 -0.305                 -0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.00     0.06   0.01   0.05
     2   6     0.04   0.05  -0.13     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.12   0.11    -0.08   0.01  -0.12     0.04   0.03   0.21
     4   6     0.00   0.05  -0.05     0.03   0.15  -0.11    -0.02   0.02  -0.12
     5   6     0.11   0.18   0.14     0.08  -0.08   0.09    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.08    -0.01   0.05  -0.04    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.07    -0.07  -0.05   0.06    -0.08  -0.03   0.08
     8   6     0.02   0.03  -0.05     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.02     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.00   0.01    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.04  -0.07   0.07     0.11  -0.07   0.08     0.06   0.06   0.22
    13   1    -0.06  -0.22   0.12    -0.05  -0.25  -0.32     0.04  -0.09   0.14
    14   1     0.02   0.04  -0.30     0.23   0.29  -0.02     0.06   0.06  -0.12
    15   1    -0.03  -0.10  -0.23     0.04  -0.08  -0.21    -0.02  -0.12  -0.20
    16   1    -0.27   0.08   0.06    -0.43  -0.08   0.02    -0.20   0.09   0.09
    17   1    -0.06  -0.10  -0.15     0.07   0.01  -0.06     0.07   0.02  -0.09
    18   1     0.19   0.09   0.14     0.14  -0.26   0.18     0.06  -0.24  -0.14
    19   1    -0.06  -0.08   0.08     0.03   0.23  -0.00    -0.06  -0.34   0.00
    20   1     0.01   0.31   0.20    -0.08  -0.26  -0.18     0.09   0.29   0.21
    21   1    -0.05  -0.25   0.01    -0.03   0.07  -0.08     0.01  -0.21   0.07
    22   1     0.05   0.05   0.03    -0.04   0.01   0.02    -0.19  -0.02   0.00
    23   1     0.19   0.00  -0.03    -0.02   0.01   0.01    -0.19   0.01  -0.01
    24   1    -0.14   0.09   0.08    -0.03   0.01   0.01     0.18  -0.07  -0.13
    25   1     0.04   0.04   0.13    -0.02   0.04  -0.08    -0.03  -0.01  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.01   0.03    -0.02  -0.16   0.15
    27   1     0.05  -0.08   0.24    -0.02   0.01  -0.02    -0.04   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    943.5648               947.6651               960.4160
 Red. masses --      1.7467                 2.1603                 1.6957
 Frc consts  --      0.9162                 1.1431                 0.9215
 IR Inten    --      3.5109                 2.9669                 2.3353
 RamAct Fr= 1--      3.7989                 3.3494                 7.3332
  Dep-P Fr= 1--      0.5030                 0.7413                 0.7365
  Dep-U Fr= 1--      0.6694                 0.8514                 0.8483
 Alpha2 Fr= 1--      0.0185                 0.0005                 0.0017
 Beta2  Fr= 1--      0.4238                 0.4753                 1.0368
 AlphaG Fr= 1--     -0.0077                 0.0092                 0.0160
 Gamma2 Fr= 1--      0.6845                 0.7142                -0.7589
 Delta2 Fr= 1--      1.3234                 1.3014                -2.1602
 Raman1 Fr= 1--      15.196                 13.398                 29.333
 ROA1   Fr= 1--     108.065                110.205               -141.984
 CID1   Fr= 1--       7.112                  8.226                 -4.840
 Raman2 Fr= 1--       5.086                  5.704                 12.441
 ROA2   Fr= 1--       5.841                  6.729                 -0.933
 CID2   Fr= 1--       1.149                  1.180                 -0.075
 Raman3 Fr= 1--      10.172                 11.407                 24.882
 ROA3   Fr= 1--     108.065                110.205               -141.984
 CID3   Fr= 1--      10.624                  9.661                 -5.706
 RC180  Fr= 1--       0.339                  0.703                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.00     0.05  -0.09   0.05    -0.03   0.08  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.02     0.02   0.15   0.01     0.03   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.01     0.10   0.07   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.06  -0.09     0.01  -0.02   0.00     0.01  -0.01  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.00    -0.05  -0.05   0.05    -0.02   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.01  -0.09     0.01  -0.05   0.09
    12   1    -0.08   0.13  -0.17     0.17   0.15   0.14     0.04   0.05   0.07
    13   1    -0.01   0.10   0.24     0.14   0.23  -0.18     0.08   0.18   0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.15   0.06    -0.09  -0.13  -0.00
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.21    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.16  -0.16  -0.03    -0.16  -0.04   0.01
    17   1     0.32  -0.06  -0.32    -0.25  -0.04   0.11    -0.08  -0.03  -0.02
    18   1    -0.08   0.23  -0.13     0.14   0.31  -0.22     0.22  -0.08  -0.14
    19   1     0.05  -0.01  -0.08     0.00   0.04   0.01    -0.01   0.16   0.05
    20   1     0.04  -0.19  -0.11    -0.03  -0.07  -0.04    -0.07  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.02  -0.02    -0.06  -0.07  -0.07
    22   1     0.02   0.06   0.05    -0.32   0.17   0.12     0.57  -0.18  -0.12
    23   1     0.14   0.00  -0.01     0.23   0.02  -0.15    -0.18  -0.02   0.28
    24   1    -0.17   0.07   0.11    -0.05   0.13  -0.03    -0.26  -0.07   0.25
    25   1    -0.04   0.09  -0.16    -0.00   0.18  -0.17    -0.04  -0.01  -0.00
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.06  -0.12   0.20
    27   1    -0.06  -0.02   0.02    -0.02  -0.03   0.11    -0.07  -0.06   0.08
                     28                     29                     30
                      A                      A                      A
 Frequencies --    966.1102              1002.2451              1031.9535
 Red. masses --      1.5766                 1.7333                 1.4610
 Frc consts  --      0.8670                 1.0258                 0.9167
 IR Inten    --      3.3154                 0.0640                 0.7678
 RamAct Fr= 1--      6.1518                 3.5906                 3.0795
  Dep-P Fr= 1--      0.7214                 0.6500                 0.7226
  Dep-U Fr= 1--      0.8382                 0.7878                 0.8390
 Alpha2 Fr= 1--      0.0030                 0.0065                 0.0015
 Beta2  Fr= 1--      0.8594                 0.4715                 0.4306
 AlphaG Fr= 1--     -0.0026                 0.0274                -0.0013
 Gamma2 Fr= 1--     -0.0826                 0.8219                -0.4695
 Delta2 Fr= 1--     -2.0845                 0.5602                -0.7032
 Raman1 Fr= 1--      24.607                 14.362                 12.318
 ROA1   Fr= 1--     -74.635                 96.831                -67.570
 CID1   Fr= 1--      -3.033                  6.742                 -5.485
 Raman2 Fr= 1--      10.312                  5.658                  5.167
 ROA2   Fr= 1--      14.694                 15.244                 -5.641
 CID2   Fr= 1--       1.425                  2.694                 -1.092
 Raman3 Fr= 1--      20.625                 11.315                 10.334
 ROA3   Fr= 1--     -74.635                 96.831                -67.570
 CID3   Fr= 1--      -3.619                  8.557                 -6.538
 RC180  Fr= 1--       0.676                  0.576                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6    -0.00  -0.01   0.02     0.01  -0.00  -0.03    -0.01  -0.00   0.01
     3   6     0.03   0.04   0.02    -0.01  -0.09  -0.04    -0.01   0.04  -0.01
     4   6    -0.03  -0.03  -0.02     0.02   0.03   0.12    -0.00  -0.02  -0.05
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.12    -0.06  -0.02   0.09
     6   6     0.00   0.00  -0.04    -0.00   0.02  -0.01     0.02  -0.04   0.02
     7   6     0.00  -0.02   0.03    -0.08   0.00   0.03     0.03   0.03  -0.03
     8   6     0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03   0.01  -0.04
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.02   0.07   0.01    -0.01   0.07  -0.12    -0.02  -0.12   0.06
    13   1     0.04   0.08   0.03    -0.10  -0.19   0.07     0.04   0.09  -0.08
    14   1    -0.00  -0.02  -0.06     0.13   0.12   0.26    -0.08  -0.08  -0.17
    15   1    -0.02  -0.06  -0.01     0.04  -0.02   0.15    -0.02   0.04  -0.06
    16   1    -0.14   0.04   0.03    -0.08   0.01   0.03     0.08  -0.05  -0.03
    17   1     0.02  -0.05  -0.12    -0.27  -0.12  -0.03     0.18   0.15   0.10
    18   1     0.15  -0.07  -0.10     0.24   0.02  -0.27    -0.20  -0.07   0.27
    19   1     0.01   0.14   0.02     0.01  -0.05  -0.02    -0.06   0.01   0.09
    20   1    -0.05  -0.10  -0.07     0.04   0.03   0.02    -0.04   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.06   0.03    -0.05  -0.22  -0.03
    22   1    -0.05   0.06  -0.00    -0.00   0.13   0.08     0.07   0.14   0.08
    23   1     0.22  -0.01  -0.16     0.30   0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.14   0.04  -0.11    -0.25   0.14   0.13    -0.29   0.16   0.15
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.11    -0.05  -0.10  -0.14
    26   1     0.19   0.01  -0.25    -0.02  -0.29   0.27    -0.02  -0.26   0.25
    27   1     0.21   0.19  -0.38    -0.06   0.10  -0.31    -0.06   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1040.4498              1057.6880              1101.4150
 Red. masses --      1.9172                 2.2179                 1.3377
 Frc consts  --      1.2228                 1.4619                 0.9561
 IR Inten    --     26.6679                33.4364                 3.1755
 RamAct Fr= 1--      4.3073                 2.0257                 2.8765
  Dep-P Fr= 1--      0.6881                 0.5660                 0.6811
  Dep-U Fr= 1--      0.8152                 0.7229                 0.8103
 Alpha2 Fr= 1--      0.0047                 0.0071                 0.0035
 Beta2  Fr= 1--      0.5852                 0.2441                 0.3885
 AlphaG Fr= 1--      0.0211                -0.0300                -0.0072
 Gamma2 Fr= 1--      0.3274                -0.5284                -1.5333
 Delta2 Fr= 1--      0.4349                 0.6720                -0.8124
 Raman1 Fr= 1--      17.229                  8.103                 11.506
 ROA1   Fr= 1--      45.348                -29.228               -173.195
 CID1   Fr= 1--       2.632                 -3.607                -15.053
 Raman2 Fr= 1--       7.023                  2.929                  4.662
 ROA2   Fr= 1--       4.379                -18.058                -30.300
 CID2   Fr= 1--       0.624                 -6.166                 -6.500
 Raman3 Fr= 1--      14.046                  5.857                  9.324
 ROA3   Fr= 1--      45.348                -29.228               -173.195
 CID3   Fr= 1--       3.229                 -4.990                -18.576
 RC180  Fr= 1--       0.630                  0.446                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00   0.01  -0.02     0.02   0.01  -0.03
     2   6     0.01   0.07   0.01     0.05   0.06  -0.01    -0.03   0.01   0.06
     3   6    -0.07  -0.01   0.02     0.08  -0.01  -0.01     0.02  -0.01  -0.03
     4   6     0.07  -0.02   0.02    -0.07  -0.03  -0.02    -0.05   0.03   0.01
     5   6    -0.01   0.00  -0.06     0.09  -0.00   0.06     0.04  -0.01  -0.00
     6   6    -0.05   0.17   0.04    -0.04   0.12   0.18     0.00   0.01   0.10
     7   6    -0.00  -0.12   0.01    -0.02  -0.07  -0.12     0.00  -0.01  -0.05
     8   6     0.08  -0.07  -0.03    -0.05  -0.04  -0.01     0.03  -0.00  -0.06
     9   8     0.03  -0.02  -0.01    -0.00  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.02  -0.01    -0.02   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.00    -0.03   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.01  -0.17   0.16     0.12   0.47  -0.22    -0.15  -0.28  -0.04
    13   1     0.03   0.03  -0.15    -0.09  -0.22   0.19     0.03   0.13   0.04
    14   1    -0.06  -0.08   0.27     0.10   0.07  -0.08     0.03   0.06  -0.18
    15   1     0.01   0.19  -0.04    -0.10  -0.29  -0.25     0.10  -0.00   0.42
    16   1     0.03   0.19   0.07     0.09  -0.13  -0.12    -0.42  -0.34  -0.15
    17   1     0.08  -0.11  -0.19    -0.10  -0.07   0.06     0.19   0.13   0.07
    18   1    -0.36   0.38  -0.01    -0.16   0.01   0.30     0.19   0.11  -0.25
    19   1    -0.05   0.21   0.12     0.03  -0.20  -0.11    -0.07  -0.08   0.08
    20   1    -0.16  -0.02  -0.03     0.08  -0.10  -0.04    -0.02   0.19   0.11
    21   1    -0.15  -0.37  -0.18     0.05   0.09   0.05    -0.04  -0.25  -0.01
    22   1     0.02   0.05   0.03     0.12  -0.01  -0.01    -0.04  -0.00   0.00
    23   1     0.12  -0.00  -0.01     0.02   0.00   0.04    -0.04   0.01   0.00
    24   1    -0.12   0.07   0.06    -0.12   0.02   0.08     0.01  -0.00  -0.01
    25   1     0.02   0.00   0.08     0.01  -0.10   0.11     0.02  -0.03   0.09
    26   1     0.02   0.08  -0.09     0.03  -0.02  -0.03     0.02   0.04  -0.06
    27   1     0.04  -0.03   0.08     0.03   0.04  -0.07     0.03  -0.01   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1119.0315              1150.1856              1172.7791
 Red. masses --      1.4552                 1.9997                 2.4756
 Frc consts  --      1.0736                 1.5586                 2.0061
 IR Inten    --      5.6184                 1.3913                 0.7039
 RamAct Fr= 1--      7.6699                 1.9518                 8.0264
  Dep-P Fr= 1--      0.7441                 0.6669                 0.7492
  Dep-U Fr= 1--      0.8533                 0.8001                 0.8566
 Alpha2 Fr= 1--      0.0008                 0.0029                 0.0001
 Beta2  Fr= 1--      1.0908                 0.2603                 1.1460
 AlphaG Fr= 1--     -0.0005                 0.0184                 0.0115
 Gamma2 Fr= 1--      1.3544                -0.5369                 2.8268
 Delta2 Fr= 1--      0.0871                -1.4495                 0.4155
 Raman1 Fr= 1--      30.680                  7.807                 32.106
 ROA1   Fr= 1--     132.811                -97.922                284.668
 CID1   Fr= 1--       4.329                -12.542                  8.867
 Raman2 Fr= 1--      13.090                  3.124                 13.752
 ROA2   Fr= 1--      31.809                 -1.289                 64.520
 CID2   Fr= 1--       2.430                 -0.413                  4.692
 Raman3 Fr= 1--      26.179                  6.247                 27.503
 ROA3   Fr= 1--     132.811                -97.922                284.668
 CID3   Fr= 1--       5.073                -15.675                 10.350
 RC180  Fr= 1--       0.707                  0.600                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.06    -0.11  -0.06   0.10    -0.04   0.07   0.16
     2   6     0.07  -0.02   0.07    -0.04  -0.05   0.14    -0.14   0.09  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.09  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.04
     5   6    -0.02  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.06  -0.03    -0.02   0.08  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.05  -0.01
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.03  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.03  -0.06
    12   1     0.02  -0.01   0.01    -0.04  -0.03  -0.10    -0.15  -0.08  -0.16
    13   1    -0.10  -0.27   0.00    -0.08  -0.13   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.06   0.06   0.14     0.21   0.27   0.21
    15   1     0.01   0.09  -0.06    -0.01  -0.03   0.04    -0.02  -0.20  -0.06
    16   1    -0.08  -0.00   0.02     0.19   0.12   0.03     0.15  -0.01  -0.00
    17   1     0.25   0.17   0.05    -0.44  -0.35  -0.15    -0.06   0.05   0.10
    18   1    -0.16   0.34  -0.15     0.16  -0.13   0.00    -0.03   0.19  -0.17
    19   1    -0.02  -0.36  -0.10    -0.11  -0.15   0.13     0.01   0.29   0.08
    20   1     0.17   0.12   0.10     0.00   0.32   0.18    -0.20  -0.15  -0.11
    21   1     0.11   0.08   0.17    -0.02  -0.32   0.04    -0.12  -0.08  -0.19
    22   1     0.23  -0.00  -0.02     0.16  -0.10  -0.08     0.16   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.08  -0.01   0.06     0.19  -0.02   0.02
    24   1    -0.20   0.02   0.14     0.08  -0.11  -0.00    -0.10   0.05   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.02   0.21  -0.08
    26   1     0.05   0.13  -0.19    -0.04   0.02   0.02    -0.07   0.18  -0.07
    27   1     0.09   0.01   0.02    -0.06  -0.00  -0.01    -0.02  -0.08   0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1190.6136              1217.2870              1227.8410
 Red. masses --      1.6641                 1.9630                 1.7533
 Frc consts  --      1.3898                 1.7138                 1.5574
 IR Inten    --      5.3016                 1.4695                 4.8311
 RamAct Fr= 1--      2.9923                 3.2544                 4.3848
  Dep-P Fr= 1--      0.7466                 0.6681                 0.6095
  Dep-U Fr= 1--      0.8549                 0.8010                 0.7574
 Alpha2 Fr= 1--      0.0002                 0.0047                 0.0113
 Beta2  Fr= 1--      0.4263                 0.4345                 0.5535
 AlphaG Fr= 1--     -0.0004                 0.0117                -0.0527
 Gamma2 Fr= 1--      1.4915                -1.7344                -1.0620
 Delta2 Fr= 1--      0.6778                -1.4869                -1.7230
 Raman1 Fr= 1--      11.969                 13.017                 17.539
 ROA1   Fr= 1--     164.875               -214.082               -157.087
 CID1   Fr= 1--      13.775                -16.446                 -8.956
 Raman2 Fr= 1--       5.116                  5.214                  6.642
 ROA2   Fr= 1--      30.374                -29.730                -11.704
 CID2   Fr= 1--       5.937                 -5.702                 -1.762
 Raman3 Fr= 1--      10.232                 10.428                 13.284
 ROA3   Fr= 1--     164.875               -214.082               -157.087
 CID3   Fr= 1--      16.113                -20.530                -11.826
 RC180  Fr= 1--       0.710                  0.602                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.09   0.01    -0.10  -0.05   0.04    -0.08   0.17   0.03
     2   6     0.09   0.12   0.05     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6    -0.01   0.02  -0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6    -0.05  -0.01   0.01     0.06  -0.03  -0.05     0.04  -0.03   0.01
     5   6     0.00  -0.03   0.00    -0.07   0.00   0.05    -0.05   0.05  -0.06
     6   6    -0.01   0.01  -0.05    -0.01  -0.01   0.05    -0.00   0.00   0.04
     7   6    -0.02   0.00  -0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6    -0.05  -0.05  -0.02    -0.03  -0.06   0.04     0.00   0.01  -0.03
     9   8    -0.02  -0.00   0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6    -0.03  -0.05  -0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6    -0.03  -0.04  -0.01     0.05   0.03  -0.01     0.04  -0.07  -0.03
    12   1    -0.12  -0.36   0.09     0.03  -0.07   0.16     0.19   0.44  -0.06
    13   1     0.02   0.09  -0.03    -0.16  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1    -0.03  -0.03  -0.22    -0.11  -0.12   0.02    -0.06  -0.10   0.04
    15   1     0.04  -0.04   0.25     0.11   0.23   0.28     0.00   0.08  -0.04
    16   1     0.36   0.17   0.04    -0.22  -0.22  -0.11    -0.19  -0.09  -0.04
    17   1    -0.25  -0.14  -0.03    -0.10  -0.10  -0.03     0.26   0.10  -0.02
    18   1     0.20  -0.40   0.09     0.24   0.03  -0.29     0.18  -0.40   0.06
    19   1     0.01  -0.19  -0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1     0.07  -0.10  -0.05     0.00  -0.25  -0.14     0.01   0.09   0.05
    21   1     0.02  -0.00   0.04    -0.02   0.10  -0.05     0.01  -0.04   0.03
    22   1    -0.03   0.12   0.08     0.05  -0.05  -0.04    -0.07   0.12   0.09
    23   1     0.16  -0.01  -0.03     0.01  -0.00  -0.01     0.25  -0.01  -0.15
    24   1    -0.15   0.12   0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1     0.03   0.05   0.10    -0.03   0.03  -0.17     0.03   0.21  -0.07
    26   1     0.01   0.11  -0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1     0.07  -0.04   0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.27
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1247.1068              1268.8210              1274.7493
 Red. masses --      1.7948                 2.0182                 1.4822
 Frc consts  --      1.6447                 1.9144                 1.4190
 IR Inten    --      2.9481                 0.0653                 3.6071
 RamAct Fr= 1--      9.4418                 3.1231                 9.3341
  Dep-P Fr= 1--      0.6047                 0.6155                 0.7262
  Dep-U Fr= 1--      0.7536                 0.7620                 0.8414
 Alpha2 Fr= 1--      0.0253                 0.0077                 0.0038
 Beta2  Fr= 1--      1.1859                 0.3966                 1.3089
 AlphaG Fr= 1--      0.0478                -0.0063                -0.0087
 Gamma2 Fr= 1--      0.6506                 0.1603                 3.2213
 Delta2 Fr= 1--     -1.2944                 0.4893                 1.6177
 Raman1 Fr= 1--      37.767                 12.493                 37.336
 ROA1   Fr= 1--      21.037                 31.049                361.010
 CID1   Fr= 1--       0.557                  2.485                  9.669
 Raman2 Fr= 1--      14.231                  4.759                 15.707
 ROA2   Fr= 1--      25.969                 -0.067                 64.370
 CID2   Fr= 1--       1.825                 -0.014                  4.098
 Raman3 Fr= 1--      28.463                  9.519                 31.414
 ROA3   Fr= 1--      21.037                 31.049                361.010
 CID3   Fr= 1--       0.739                  3.262                 11.492
 RC180  Fr= 1--       0.507                  0.524                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.17    -0.11  -0.07   0.07    -0.05  -0.04   0.08
     2   6     0.00  -0.05  -0.05     0.02   0.07   0.03     0.11   0.03  -0.03
     3   6    -0.09  -0.05   0.01    -0.01   0.03  -0.04    -0.01  -0.06  -0.00
     4   6     0.03   0.04   0.00    -0.00   0.00   0.10    -0.03   0.02   0.02
     5   6     0.02  -0.03  -0.03     0.09   0.05  -0.06    -0.04   0.05  -0.04
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.01    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.00    -0.14  -0.09  -0.02     0.05  -0.01   0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.00   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.01  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.20   0.42   0.02    -0.03  -0.14   0.03    -0.10  -0.26   0.01
    13   1     0.09   0.21  -0.19    -0.07  -0.12   0.00     0.24   0.62  -0.08
    14   1    -0.16  -0.13  -0.48    -0.10  -0.11  -0.42     0.12   0.14   0.26
    15   1     0.11   0.14   0.26    -0.05  -0.07  -0.08    -0.12  -0.17  -0.33
    16   1    -0.02  -0.02  -0.01     0.28   0.25   0.09    -0.24  -0.12  -0.05
    17   1    -0.11  -0.06   0.00     0.53   0.34   0.12     0.07  -0.00  -0.03
    18   1     0.06  -0.04  -0.05     0.05  -0.00   0.03     0.02  -0.16   0.05
    19   1     0.01   0.05  -0.00    -0.00  -0.05  -0.01     0.04  -0.06  -0.09
    20   1    -0.00   0.03   0.01    -0.00  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.00   0.05  -0.00    -0.01  -0.05  -0.00     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.04     0.08  -0.10  -0.07     0.10  -0.03  -0.03
    23   1     0.02  -0.01   0.19    -0.06   0.01   0.02     0.03  -0.00   0.04
    24   1    -0.17  -0.06   0.15     0.10  -0.10  -0.02    -0.01  -0.04   0.02
    25   1     0.02   0.03   0.06    -0.02   0.05  -0.14    -0.01   0.04  -0.08
    26   1     0.05   0.10  -0.17    -0.03   0.01   0.05    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.08  -0.00  -0.05    -0.04   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1302.3368              1328.2312              1335.0483
 Red. masses --      2.1618                 1.6864                 1.4947
 Frc consts  --      2.1603                 1.7529                 1.5696
 IR Inten    --     11.4924                 3.0949                 1.6329
 RamAct Fr= 1--      6.1026                 7.2555                 3.6607
  Dep-P Fr= 1--      0.7259                 0.5934                 0.6989
  Dep-U Fr= 1--      0.8412                 0.7449                 0.8228
 Alpha2 Fr= 1--      0.0025                 0.0211                 0.0033
 Beta2  Fr= 1--      0.8556                 0.9007                 0.5020
 AlphaG Fr= 1--      0.0303                -0.0012                 0.0209
 Gamma2 Fr= 1--      2.3208                 1.5853                -0.9972
 Delta2 Fr= 1--      2.6813                 0.9996                -0.7496
 Raman1 Fr= 1--      24.410                 29.022                 14.643
 ROA1   Fr= 1--     308.601                184.174               -119.718
 CID1   Fr= 1--      12.642                  6.346                 -8.176
 Raman2 Fr= 1--      10.267                 10.809                  6.024
 ROA2   Fr= 1--      34.249                 30.050                -17.936
 CID2   Fr= 1--       3.336                  2.780                 -2.978
 Raman3 Fr= 1--      20.533                 21.617                 12.047
 ROA3   Fr= 1--     308.601                184.174               -119.718
 CID3   Fr= 1--      15.029                  8.520                 -9.937
 RC180  Fr= 1--       0.682                  0.490                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.07   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.09   0.12   0.06    -0.04   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.03  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.08   0.06  -0.11    -0.12   0.07   0.11     0.06   0.09  -0.05
     6   6     0.02  -0.06  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.04    -0.05  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.02  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.05   0.01  -0.01    -0.03   0.02  -0.00    -0.01   0.01  -0.00
    12   1     0.00   0.03  -0.07     0.02   0.14  -0.07     0.03   0.07   0.01
    13   1    -0.16  -0.33   0.13     0.04   0.07  -0.00     0.01   0.00   0.02
    14   1    -0.07  -0.11  -0.12     0.08   0.07   0.27     0.12   0.10   0.44
    15   1    -0.14  -0.11  -0.42    -0.03   0.06  -0.15     0.15   0.13   0.56
    16   1    -0.36  -0.22  -0.05     0.29   0.17   0.01    -0.06   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.25   0.13   0.05     0.12   0.10   0.07
    18   1    -0.08  -0.34   0.21     0.59  -0.19  -0.40    -0.13  -0.30   0.46
    19   1    -0.02  -0.03   0.06    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.13  -0.07  -0.07    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.15  -0.09    -0.03  -0.04  -0.05    -0.02   0.01  -0.04
    22   1     0.04  -0.01  -0.01    -0.00   0.00   0.00     0.04  -0.05  -0.03
    23   1    -0.06   0.00   0.10    -0.01  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.04  -0.04   0.05     0.01  -0.06   0.02
    25   1     0.01  -0.06   0.11     0.00  -0.09   0.08    -0.00  -0.02   0.00
    26   1     0.08  -0.01  -0.12     0.06  -0.07  -0.04     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.02     0.07   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1350.1878              1407.8398              1413.0476
 Red. masses --      2.3836                 1.2361                 1.2844
 Frc consts  --      2.5602                 1.4435                 1.5110
 IR Inten    --      7.6105                 7.3763                 6.1796
 RamAct Fr= 1--      9.2168                 0.0597                 0.6128
  Dep-P Fr= 1--      0.4221                 0.4499                 0.1897
  Dep-U Fr= 1--      0.5936                 0.6206                 0.3189
 Alpha2 Fr= 1--      0.0630                 0.0004                 0.0086
 Beta2  Fr= 1--      0.9119                 0.0062                 0.0326
 AlphaG Fr= 1--     -0.0055                -0.0041                -0.0055
 Gamma2 Fr= 1--      1.0501                 0.0223                -0.1371
 Delta2 Fr= 1--     -0.3719                -0.0011                 0.0227
 Raman1 Fr= 1--      36.867                  0.239                  2.451
 ROA1   Fr= 1--      88.908                  2.103                -12.434
 CID1   Fr= 1--       2.412                  8.811                 -5.073
 Raman2 Fr= 1--      10.943                  0.074                  0.391
 ROA2   Fr= 1--      28.177                  0.543                 -3.471
 CID2   Fr= 1--       2.575                  7.326                 -8.882
 Raman3 Fr= 1--      21.885                  0.148                  0.782
 ROA3   Fr= 1--      88.908                  2.103                -12.434
 CID3   Fr= 1--       4.062                 14.198                -15.908
 RC180  Fr= 1--       0.187                  0.241                 -0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.01   0.20   0.16    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.02  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.06   0.02    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.09  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.04   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.00  -0.04  -0.05     0.00  -0.01  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.02   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.00
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.62  -0.11     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.14   0.41  -0.04    -0.02   0.01   0.04    -0.00  -0.00  -0.00
    14   1    -0.01   0.01  -0.00    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.05   0.03   0.07     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.05  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.00
    17   1    -0.05  -0.01  -0.03    -0.03  -0.00   0.06     0.00  -0.00  -0.03
    18   1    -0.11   0.22  -0.08     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.16   0.03    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.02  -0.04  -0.05    -0.02   0.01   0.00     0.07   0.34   0.37
    21   1    -0.02  -0.18   0.01     0.03   0.02   0.02     0.31   0.43   0.13
    22   1    -0.13  -0.05  -0.03     0.37  -0.15   0.01     0.06  -0.02  -0.00
    23   1    -0.13   0.00  -0.07     0.42   0.09  -0.10     0.09   0.02   0.01
    24   1     0.03   0.02   0.01     0.30  -0.18  -0.29     0.06  -0.07  -0.05
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.24     0.04  -0.07   0.08
    26   1     0.01  -0.01   0.04     0.11   0.28  -0.22    -0.02  -0.14   0.07
    27   1    -0.08   0.01  -0.07     0.01   0.05  -0.37     0.03  -0.01   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1427.9120              1457.2573              1482.1819
 Red. masses --      1.2082                 1.0864                 1.0520
 Frc consts  --      1.4514                 1.3593                 1.3617
 IR Inten    --     12.1573                15.4250                 5.3169
 RamAct Fr= 1--      0.7630                12.2598                 3.9199
  Dep-P Fr= 1--      0.2512                 0.6479                 0.7500
  Dep-U Fr= 1--      0.4016                 0.7864                 0.8571
 Alpha2 Fr= 1--      0.0090                 0.0225                 0.0000
 Beta2  Fr= 1--      0.0511                 1.6068                 0.5600
 AlphaG Fr= 1--     -0.0233                 0.0433                 0.0002
 Gamma2 Fr= 1--      0.1470                 2.0637                 1.1909
 Delta2 Fr= 1--      0.1706                 1.5279                 0.2796
 Raman1 Fr= 1--       3.052                 49.039                 15.680
 ROA1   Fr= 1--      19.575                247.004                123.275
 CID1   Fr= 1--       6.414                  5.037                  7.862
 Raman2 Fr= 1--       0.613                 19.281                  6.720
 ROA2   Fr= 1--       2.163                 37.304                 26.345
 CID2   Fr= 1--       3.530                  1.935                  3.921
 Raman3 Fr= 1--       1.226                 38.562                 13.440
 ROA3   Fr= 1--      19.575                247.004                123.275
 CID3   Fr= 1--      15.972                  6.405                  9.173
 RC180  Fr= 1--      -0.197                  0.573                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.01   0.00    -0.00  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00  -0.00    -0.00  -0.01   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.01  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.02   0.01   0.01     0.19  -0.03   0.16
    13   1    -0.01   0.04   0.03    -0.01   0.01   0.01    -0.11   0.08   0.23
    14   1    -0.03  -0.01  -0.01    -0.10  -0.06   0.02     0.08   0.05  -0.04
    15   1     0.01  -0.02   0.01     0.03  -0.11  -0.01    -0.03   0.10  -0.01
    16   1     0.08  -0.10  -0.00    -0.37   0.54   0.03    -0.02   0.03   0.00
    17   1     0.01  -0.01  -0.13    -0.18   0.02   0.64    -0.01   0.00   0.03
    18   1    -0.02   0.04  -0.01    -0.02   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.14  -0.04     0.01  -0.01  -0.01     0.17   0.02  -0.23
    20   1     0.02  -0.11  -0.11     0.02  -0.01  -0.00     0.05   0.14   0.15
    21   1    -0.09  -0.16  -0.01    -0.01  -0.03  -0.00    -0.15   0.04  -0.22
    22   1     0.30  -0.12   0.01     0.01  -0.06  -0.02     0.29   0.19   0.16
    23   1     0.35   0.08  -0.06     0.01   0.01  -0.07    -0.25  -0.05  -0.01
    24   1     0.24  -0.17  -0.23    -0.00   0.01   0.00     0.06   0.37  -0.26
    25   1     0.13  -0.22   0.26     0.06   0.10   0.11    -0.13  -0.11  -0.23
    26   1    -0.09  -0.34   0.22    -0.05  -0.14   0.11     0.24  -0.15  -0.17
    27   1     0.02  -0.05   0.42     0.16   0.02   0.06     0.05  -0.01   0.17
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1485.7675              1489.7330              1495.0384
 Red. masses --      1.0477                 1.0501                 1.0560
 Frc consts  --      1.3626                 1.3731                 1.3906
 IR Inten    --      8.4554                 8.9754                 4.4240
 RamAct Fr= 1--     14.4163                 7.1897                 1.4475
  Dep-P Fr= 1--      0.7360                 0.7018                 0.7495
  Dep-U Fr= 1--      0.8479                 0.8248                 0.8568
 Alpha2 Fr= 1--      0.0034                 0.0060                 0.0000
 Beta2  Fr= 1--      2.0374                 0.9883                 0.2067
 AlphaG Fr= 1--      0.0069                 0.0091                -0.0002
 Gamma2 Fr= 1--     -3.6377                 1.1547                -2.8231
 Delta2 Fr= 1--     -1.3911                 0.3823                -1.2488
 Raman1 Fr= 1--      57.665                 28.759                  5.790
 ROA1   Fr= 1--    -393.737                123.088               -310.975
 CID1   Fr= 1--      -6.828                  4.280                -53.709
 Raman2 Fr= 1--      24.449                 11.860                  2.480
 ROA2   Fr= 1--     -76.176                 24.655                -57.764
 CID2   Fr= 1--      -3.116                  2.079                -23.287
 Raman3 Fr= 1--      48.897                 23.719                  4.961
 ROA3   Fr= 1--    -393.737                123.088               -310.975
 CID3   Fr= 1--      -8.052                  5.189                -62.685
 RC180  Fr= 1--       0.696                  0.650                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.02
     2   6    -0.00   0.00  -0.02    -0.03   0.00  -0.01    -0.02   0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
     8   6    -0.00   0.02  -0.03    -0.04   0.01  -0.01    -0.02  -0.00   0.01
     9   8    -0.00   0.00   0.00     0.01   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00  -0.02  -0.02     0.01   0.00   0.01    -0.00   0.01  -0.03
    11   6     0.01   0.02   0.01    -0.02  -0.00   0.01     0.01  -0.02  -0.01
    12   1     0.04  -0.01   0.04    -0.03   0.02  -0.03     0.17  -0.01   0.15
    13   1    -0.02   0.01   0.05     0.00  -0.04  -0.03    -0.10   0.06   0.21
    14   1     0.09   0.05  -0.04    -0.07  -0.04   0.03     0.22   0.12  -0.10
    15   1    -0.03   0.10  -0.01     0.02  -0.07   0.02    -0.08   0.25  -0.04
    16   1    -0.07   0.10   0.01     0.04  -0.06  -0.00    -0.03   0.05   0.00
    17   1    -0.03   0.01   0.11     0.03   0.00  -0.07    -0.02  -0.00   0.05
    18   1    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.25   0.05   0.34     0.05   0.36  -0.12     0.17   0.18  -0.26
    20   1     0.03  -0.24  -0.23     0.58  -0.16  -0.04     0.32   0.04   0.11
    21   1     0.24  -0.12   0.40     0.03  -0.39   0.29    -0.13  -0.16  -0.06
    22   1     0.02   0.30   0.15     0.00  -0.16  -0.08    -0.17   0.17   0.05
    23   1    -0.03  -0.06   0.31    -0.04   0.03  -0.20     0.16  -0.03   0.34
    24   1     0.10  -0.01  -0.13    -0.08   0.07   0.07     0.09  -0.29   0.03
    25   1    -0.07  -0.26  -0.13    -0.07   0.12  -0.13     0.10   0.05   0.17
    26   1     0.12   0.02  -0.12     0.14  -0.15  -0.07    -0.19   0.16   0.12
    27   1    -0.19  -0.05   0.12     0.21   0.03   0.05    -0.10  -0.00  -0.16
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1499.3635              1508.5124              1513.6722
 Red. masses --      1.0579                 1.0667                 1.0679
 Frc consts  --      1.4013                 1.4302                 1.4416
 IR Inten    --      6.4676                 0.5325                 7.3640
 RamAct Fr= 1--      3.7727                 6.8699                 3.2643
  Dep-P Fr= 1--      0.7311                 0.7414                 0.7410
  Dep-U Fr= 1--      0.8447                 0.8515                 0.8512
 Alpha2 Fr= 1--      0.0012                 0.0010                 0.0005
 Beta2  Fr= 1--      0.5311                 0.9749                 0.4631
 AlphaG Fr= 1--      0.0152                -0.0058                 0.0061
 Gamma2 Fr= 1--     -0.5111                 2.3768                 0.9920
 Delta2 Fr= 1--     -0.6196                 1.2298                 0.4213
 Raman1 Fr= 1--      15.091                 27.480                 13.057
 ROA1   Fr= 1--     -68.889                267.530                108.717
 CID1   Fr= 1--      -4.565                  9.736                  8.326
 Raman2 Fr= 1--       6.373                 11.699                  5.557
 ROA2   Fr= 1--      -7.308                 47.205                 20.438
 CID2   Fr= 1--      -1.147                  4.035                  3.678
 Raman3 Fr= 1--      12.747                 23.398                 11.115
 ROA3   Fr= 1--     -68.889                267.530                108.717
 CID3   Fr= 1--      -5.404                 11.434                  9.781
 RC180  Fr= 1--       0.689                  0.703                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.01     0.01   0.03   0.02
     2   6     0.01  -0.00  -0.02     0.01   0.00  -0.00    -0.00  -0.01  -0.02
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00   0.00    -0.01  -0.00  -0.05
     4   6    -0.01  -0.02  -0.00    -0.01  -0.03   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.02     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.24  -0.07   0.23     0.02  -0.00   0.02     0.31  -0.08   0.29
    13   1    -0.14   0.11   0.30    -0.00   0.02   0.01    -0.18   0.12   0.38
    14   1     0.14   0.08  -0.05     0.20   0.11  -0.10    -0.08  -0.04   0.03
    15   1    -0.04   0.17  -0.02    -0.07   0.23  -0.04     0.03  -0.08   0.01
    16   1     0.05  -0.07  -0.00     0.01  -0.04  -0.01    -0.01   0.03   0.00
    17   1     0.02  -0.00  -0.07     0.00  -0.01  -0.03    -0.01  -0.00   0.03
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.16  -0.02   0.23    -0.04  -0.12   0.07    -0.03  -0.02   0.04
    20   1    -0.09  -0.10  -0.12    -0.16  -0.00  -0.03    -0.06   0.01  -0.01
    21   1     0.15   0.02   0.18     0.01   0.08  -0.04     0.02   0.05   0.00
    22   1     0.15  -0.09  -0.01    -0.22   0.00  -0.05    -0.22  -0.31  -0.20
    23   1    -0.17   0.01  -0.22     0.18   0.00   0.15     0.14   0.06  -0.21
    24   1    -0.05   0.25  -0.06     0.02  -0.28   0.12    -0.15  -0.17   0.27
    25   1     0.13   0.32   0.23    -0.12   0.29  -0.23    -0.08  -0.28  -0.13
    26   1    -0.22   0.01   0.20     0.24  -0.37  -0.08     0.13   0.06  -0.15
    27   1     0.21   0.07  -0.19     0.48   0.07   0.15    -0.22  -0.06   0.13
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1523.0450              1797.0836              3033.7430
 Red. masses --      1.0797                12.4837                 1.0386
 Frc consts  --      1.4757                23.7537                 5.6320
 IR Inten    --      7.3203               369.1073                18.0389
 RamAct Fr= 1--      7.6765                38.9099                 8.2853
  Dep-P Fr= 1--      0.5486                 0.5055                 0.7440
  Dep-U Fr= 1--      0.7085                 0.6715                 0.8532
 Alpha2 Fr= 1--      0.0296                 0.1873                 0.0008
 Beta2  Fr= 1--      0.9065                 4.3546                 1.1782
 AlphaG Fr= 1--      0.0181                 0.1844                -0.0127
 Gamma2 Fr= 1--     -1.8794                 1.4512                 1.9318
 Delta2 Fr= 1--     -0.8726                 1.8710                 0.7253
 Raman1 Fr= 1--      30.706                155.640                 33.141
 ROA1   Fr= 1--    -208.348                199.188                208.662
 CID1   Fr= 1--      -6.785                  1.280                  6.296
 Raman2 Fr= 1--      10.878                 52.256                 14.138
 ROA2   Fr= 1--     -38.125                 19.861                 40.560
 CID2   Fr= 1--      -3.505                  0.380                  2.869
 Raman3 Fr= 1--      21.757                104.511                 28.277
 ROA3   Fr= 1--    -208.348                199.188                208.662
 CID3   Fr= 1--      -9.576                  1.906                  7.379
 RC180  Fr= 1--       0.417                  0.343                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.03    -0.01  -0.02   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.05  -0.02   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.01   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.16   0.03  -0.14    -0.03   0.07  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.19     0.04   0.01  -0.04    -0.01   0.00  -0.01
    14   1     0.43   0.22  -0.21     0.01   0.01   0.01    -0.01   0.01  -0.00
    15   1    -0.16   0.50  -0.09    -0.01   0.02  -0.01     0.01   0.00  -0.00
    16   1    -0.07   0.08   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.10     0.09   0.06   0.03     0.01  -0.02   0.00
    18   1    -0.01  -0.02   0.00    -0.03  -0.02  -0.02     0.00   0.00   0.00
    19   1     0.01   0.01  -0.01     0.04  -0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.01   0.00   0.00     0.03  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.00  -0.01  -0.00    -0.06  -0.10  -0.03     0.02  -0.01  -0.01
    22   1     0.09  -0.28  -0.12    -0.00   0.00   0.00    -0.02  -0.12   0.21
    23   1     0.00   0.06  -0.32     0.01   0.00   0.00    -0.04   0.41   0.06
    24   1    -0.08   0.10   0.05     0.01  -0.00  -0.01    -0.36  -0.16  -0.32
    25   1    -0.01  -0.20  -0.01     0.00   0.03  -0.00    -0.28   0.02   0.12
    26   1     0.02   0.08  -0.05    -0.01  -0.02   0.02     0.33   0.17   0.32
    27   1    -0.19  -0.04   0.06     0.02   0.01   0.00     0.08  -0.39  -0.09
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3036.9026              3040.1949              3057.4197
 Red. masses --      1.0363                 1.0380                 1.0594
 Frc consts  --      5.6310                 5.6526                 5.8349
 IR Inten    --     27.5966                54.2354                36.5519
 RamAct Fr= 1--     10.6141               630.8734               113.2604
  Dep-P Fr= 1--      0.7293                 0.0139                 0.3405
  Dep-U Fr= 1--      0.8435                 0.0274                 0.5081
 Alpha2 Fr= 1--      0.0038                13.5716                 1.0250
 Beta2  Fr= 1--      1.4922                 2.8785                 9.5906
 AlphaG Fr= 1--     -0.0174                 0.6691                -0.6568
 Gamma2 Fr= 1--      1.3190                 2.5176                 4.7740
 Delta2 Fr= 1--      0.9899                -1.1974                -6.9514
 Raman1 Fr= 1--      42.457               2523.494                453.042
 ROA1   Fr= 1--     158.296                203.372                235.864
 CID1   Fr= 1--       3.728                  0.081                  0.521
 Raman2 Fr= 1--      17.906                 34.542                115.087
 ROA2   Fr= 1--      23.736                 70.001                170.188
 CID2   Fr= 1--       1.326                  2.027                  1.479
 Raman3 Fr= 1--      35.812                 69.084                230.174
 ROA3   Fr= 1--     158.296                203.372                235.864
 CID3   Fr= 1--       4.420                  2.944                  1.025
 RC180  Fr= 1--       0.687                 -0.945                  0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.01  -0.00  -0.06
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.03   0.01
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.04   0.02    -0.00  -0.03  -0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00     0.03  -0.01   0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    12   1    -0.01   0.01   0.01     0.04  -0.02  -0.04    -0.37   0.21   0.40
    13   1     0.02  -0.01   0.01    -0.05   0.01  -0.02     0.53  -0.16   0.26
    14   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.23   0.35  -0.03
    15   1     0.01   0.00  -0.00     0.02   0.00  -0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.02    -0.00  -0.01   0.05    -0.00   0.00  -0.00
    17   1    -0.01   0.01  -0.00    -0.02   0.03  -0.01     0.02  -0.03   0.01
    18   1     0.01   0.00   0.00     0.02   0.01   0.02    -0.02  -0.02  -0.02
    19   1    -0.36   0.00  -0.25     0.26   0.00   0.18     0.02   0.00   0.02
    20   1    -0.06  -0.30   0.35     0.04   0.21  -0.25     0.01   0.03  -0.03
    21   1     0.39  -0.14  -0.27    -0.28   0.10   0.19    -0.03   0.01   0.02
    22   1    -0.01  -0.06   0.12    -0.02  -0.10   0.18    -0.00  -0.00   0.00
    23   1    -0.02   0.24   0.04    -0.03   0.32   0.05    -0.00   0.02   0.00
    24   1    -0.20  -0.09  -0.18    -0.30  -0.13  -0.27    -0.01  -0.01  -0.01
    25   1     0.16  -0.01  -0.07     0.24  -0.02  -0.11     0.01  -0.00  -0.00
    26   1    -0.19  -0.10  -0.18    -0.27  -0.13  -0.26    -0.01  -0.00  -0.01
    27   1    -0.05   0.24   0.05    -0.06   0.30   0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3062.6756              3066.3478              3084.9481
 Red. masses --      1.0610                 1.0619                 1.1009
 Frc consts  --      5.8635                 5.8825                 6.1729
 IR Inten    --     18.9991                41.2660                 6.1636
 RamAct Fr= 1--    111.7960               433.4356                27.0393
  Dep-P Fr= 1--      0.1668                 0.0447                 0.7265
  Dep-U Fr= 1--      0.2859                 0.0856                 0.8416
 Alpha2 Fr= 1--      1.6557                 8.6703                 0.0109
 Beta2  Fr= 1--      5.3269                 6.1818                 3.7926
 AlphaG Fr= 1--      0.2468                -1.3278                -0.0199
 Gamma2 Fr= 1--     -2.8210               -10.3753                 3.5552
 Delta2 Fr= 1--     -6.0687                -1.8531                -1.3366
 Raman1 Fr= 1--     447.184               1733.742                108.157
 ROA1   Fr= 1--    -465.016              -1055.329                298.524
 CID1   Fr= 1--      -1.040                 -0.609                  2.760
 Raman2 Fr= 1--      63.923                 74.182                 45.512
 ROA2   Fr= 1--     -19.155               -234.183                 96.016
 CID2   Fr= 1--      -0.300                 -3.157                  2.110
 Raman3 Fr= 1--     127.845                148.364                 91.023
 ROA3   Fr= 1--    -465.016              -1055.329                298.524
 CID3   Fr= 1--      -3.637                 -7.113                  3.280
 RC180  Fr= 1--      -0.428                 -0.829                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.01     0.00   0.00   0.03     0.00  -0.00  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.01   0.01   0.01    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00   0.01
     9   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03  -0.06  -0.04
    11   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.04   0.02
    12   1    -0.08   0.04   0.08     0.23  -0.13  -0.25    -0.00   0.00   0.00
    13   1     0.09  -0.03   0.04    -0.28   0.08  -0.14    -0.00   0.00  -0.00
    14   1     0.10  -0.15   0.01    -0.34   0.52  -0.04     0.01  -0.01   0.00
    15   1    -0.08  -0.01   0.03     0.47   0.08  -0.16    -0.01  -0.00   0.00
    16   1    -0.05  -0.12   0.60    -0.02  -0.03   0.16    -0.00  -0.00   0.01
    17   1    -0.35   0.61  -0.17    -0.06   0.11  -0.03     0.00  -0.00   0.00
    18   1    -0.07  -0.06  -0.08    -0.15  -0.12  -0.15     0.00   0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.02  -0.00   0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02     0.01   0.06  -0.07
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01     0.07  -0.03  -0.05
    22   1     0.00   0.00  -0.01    -0.01  -0.02   0.03    -0.01  -0.04   0.04
    23   1     0.00   0.00   0.00     0.00  -0.03  -0.01    -0.08   0.65   0.09
    24   1    -0.00   0.00   0.00     0.05   0.02   0.04     0.40   0.16   0.36
    25   1     0.04  -0.00  -0.02     0.01  -0.00  -0.00    -0.01   0.01   0.01
    26   1     0.05   0.03   0.05     0.03   0.01   0.03    -0.21  -0.10  -0.20
    27   1     0.01  -0.05  -0.01     0.00  -0.01  -0.00     0.07  -0.33  -0.07
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.6878              3091.0435              3091.6977
 Red. masses --      1.1042                 1.0898                 1.0998
 Frc consts  --      6.1983                 6.1350                 6.1937
 IR Inten    --      4.3940                31.8573                79.6283
 RamAct Fr= 1--    103.7232               354.7595               179.8112
  Dep-P Fr= 1--      0.3619                 0.1042                 0.7459
  Dep-U Fr= 1--      0.5315                 0.1888                 0.8545
 Alpha2 Fr= 1--      0.8757                 6.1473                 0.0124
 Beta2  Fr= 1--      9.1880                11.1619                25.6075
 AlphaG Fr= 1--     -1.0586                 2.3283                 0.0847
 Gamma2 Fr= 1--    -13.8667                39.0132                -4.8325
 Delta2 Fr= 1--    -16.8640                19.6503                -0.6104
 Raman1 Fr= 1--     414.893               1419.038                719.245
 ROA1   Fr= 1--   -1870.850               4374.077               -483.457
 CID1   Fr= 1--      -4.509                  3.082                 -0.672
 Raman2 Fr= 1--     110.256                133.942                307.290
 ROA2   Fr= 1--    -197.888                779.115               -111.098
 CID2   Fr= 1--      -1.795                  5.817                 -0.362
 Raman3 Fr= 1--     220.511                267.885                614.580
 ROA3   Fr= 1--   -1870.850               4374.077               -483.457
 CID3   Fr= 1--      -8.484                 16.328                 -0.787
 RC180  Fr= 1--       0.063                 -0.622                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.06   0.03   0.01     0.03  -0.01  -0.00     0.00  -0.00   0.00
     4   6     0.05  -0.02  -0.01    -0.02  -0.01   0.01     0.00  -0.00   0.00
     5   6    -0.02  -0.01  -0.02    -0.05  -0.04  -0.04    -0.01  -0.01  -0.01
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.01
     9   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.03  -0.02
    11   6     0.00   0.00   0.00     0.01   0.01   0.00    -0.03  -0.06  -0.04
    12   1     0.32  -0.19  -0.38    -0.11   0.06   0.13    -0.00   0.00   0.00
    13   1     0.41  -0.12   0.22    -0.23   0.07  -0.12    -0.00   0.00  -0.00
    14   1    -0.21   0.33  -0.04    -0.04   0.06  -0.01    -0.01   0.02  -0.00
    15   1    -0.41  -0.08   0.15     0.23   0.04  -0.08     0.01   0.00  -0.00
    16   1    -0.01  -0.01   0.05     0.00   0.00  -0.04    -0.00  -0.00   0.01
    17   1    -0.04   0.07  -0.02    -0.12   0.20  -0.05     0.00   0.00  -0.00
    18   1     0.21   0.17   0.21     0.53   0.42   0.52     0.11   0.09   0.11
    19   1    -0.03   0.00  -0.02    -0.03  -0.00  -0.02     0.09   0.00   0.06
    20   1    -0.00  -0.02   0.02     0.00   0.02  -0.02    -0.01  -0.06   0.07
    21   1    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.01   0.01   0.01
    22   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01  -0.03   0.03
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.04   0.34   0.05
    24   1    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02     0.21   0.08   0.19
    25   1    -0.00   0.00   0.00    -0.05   0.01   0.02     0.05  -0.02  -0.04
    26   1    -0.02  -0.01  -0.02    -0.05  -0.03  -0.05     0.39   0.18   0.37
    27   1     0.01  -0.05  -0.01     0.02  -0.10  -0.02    -0.13   0.61   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.3833              3100.2320              3101.2728
 Red. masses --      1.1033                 1.1016                 1.1015
 Frc consts  --      6.2406                 6.2382                 6.2418
 IR Inten    --      4.7513                13.0430                32.1708
 RamAct Fr= 1--     91.5465               127.3042                96.7941
  Dep-P Fr= 1--      0.6975                 0.7319                 0.7393
  Dep-U Fr= 1--      0.8218                 0.8452                 0.8501
 Alpha2 Fr= 1--      0.0838                 0.0395                 0.0177
 Beta2  Fr= 1--     12.5392                17.9324                13.7141
 AlphaG Fr= 1--     -0.2554                -0.1090                 0.0537
 Gamma2 Fr= 1--    -51.4737                -3.7095                 6.0661
 Delta2 Fr= 1--     -6.5609                 2.4300                 2.1857
 Raman1 Fr= 1--     366.186                509.217                387.176
 ROA1   Fr= 1--   -5151.425               -278.351                652.288
 CID1   Fr= 1--     -14.068                 -0.547                  1.685
 Raman2 Fr= 1--     150.470                215.189                164.570
 ROA2   Fr= 1--   -1182.883               -108.467                128.100
 CID2   Fr= 1--      -7.861                 -0.504                  0.778
 Raman3 Fr= 1--     300.940                430.378                329.140
 ROA3   Fr= 1--   -5151.425               -278.351                652.288
 CID3   Fr= 1--     -17.118                 -0.647                  1.982
 RC180  Fr= 1--       0.644                  0.690                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     4   6     0.02  -0.01  -0.00     0.01  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.02   0.05  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     8   6    -0.00  -0.01   0.02    -0.09   0.01   0.00     0.00   0.03  -0.08
     9   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.00
    11   6    -0.04   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.01   0.01
    12   1    -0.09   0.05   0.10    -0.01   0.01   0.01    -0.03   0.02   0.04
    13   1    -0.14   0.04  -0.08    -0.02   0.00  -0.01    -0.04   0.01  -0.02
    14   1    -0.07   0.11  -0.01    -0.04   0.07  -0.01    -0.00   0.01   0.00
    15   1    -0.15  -0.03   0.05    -0.09  -0.02   0.03     0.00   0.00  -0.00
    16   1    -0.06  -0.10   0.61     0.00   0.01  -0.03    -0.01  -0.02   0.14
    17   1     0.27  -0.45   0.11    -0.02   0.03  -0.01     0.06  -0.10   0.02
    18   1     0.09   0.07   0.09    -0.01  -0.01  -0.01     0.03   0.02   0.03
    19   1    -0.07  -0.00  -0.05     0.56   0.01   0.41     0.36   0.01   0.24
    20   1     0.02   0.11  -0.12    -0.01   0.05  -0.06    -0.11  -0.52   0.58
    21   1     0.07  -0.03  -0.05     0.53  -0.20  -0.38    -0.27   0.11   0.17
    22   1     0.01   0.03  -0.06     0.01   0.02  -0.04     0.00   0.01  -0.01
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.00   0.02   0.00
    24   1    -0.02  -0.01  -0.02    -0.05  -0.02  -0.04    -0.00  -0.00   0.00
    25   1     0.32  -0.02  -0.15    -0.03   0.00   0.01     0.03   0.00  -0.01
    26   1     0.08   0.05   0.09    -0.01  -0.01  -0.01    -0.05  -0.02  -0.05
    27   1     0.02  -0.14  -0.03    -0.00   0.01   0.00     0.03  -0.15  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3105.7165              3111.5482              3127.8200
 Red. masses --      1.1048                 1.0988                 1.0961
 Frc consts  --      6.2784                 6.2677                 6.3180
 IR Inten    --     89.6110                25.9605                34.9177
 RamAct Fr= 1--    140.1269               103.5646               100.5861
  Dep-P Fr= 1--      0.7066                 0.6421                 0.5427
  Dep-U Fr= 1--      0.8281                 0.7821                 0.7036
 Alpha2 Fr= 1--      0.1055                 0.2016                 0.4005
 Beta2  Fr= 1--     19.3401                13.4988                11.7948
 AlphaG Fr= 1--     -0.2144                -0.3362                -0.2627
 Gamma2 Fr= 1--     -6.5502                42.9439                -5.6501
 Delta2 Fr= 1--     -2.6211                14.1710                -0.0465
 Raman1 Fr= 1--     560.508                414.258                402.344
 ROA1   Fr= 1--    -712.689               4576.086               -543.904
 CID1   Fr= 1--      -1.272                 11.046                 -1.352
 Raman2 Fr= 1--     232.081                161.985                141.538
 ROA2   Fr= 1--    -136.235                917.285               -135.231
 CID2   Fr= 1--      -0.587                  5.663                 -0.955
 Raman3 Fr= 1--     464.161                323.971                283.076
 ROA3   Fr= 1--    -712.689               4576.086               -543.904
 CID3   Fr= 1--      -1.535                 14.125                 -1.921
 RC180  Fr= 1--       0.656                  0.564                  0.407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.05   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.01  -0.02     0.01  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.00   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.23  -0.14  -0.28    -0.00   0.00   0.00    -0.06   0.04   0.07
    13   1     0.33  -0.10   0.18    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    14   1     0.24  -0.39   0.04    -0.01   0.02  -0.00    -0.03   0.05  -0.01
    15   1     0.53   0.11  -0.19    -0.01  -0.00   0.01    -0.14  -0.03   0.05
    16   1    -0.02  -0.03   0.17     0.04   0.07  -0.37    -0.00   0.00   0.00
    17   1     0.09  -0.15   0.03    -0.11   0.18  -0.04     0.00  -0.00   0.00
    18   1     0.09   0.07   0.09    -0.02  -0.02  -0.02    -0.01  -0.00  -0.01
    19   1     0.06   0.00   0.05     0.02   0.00   0.01     0.01   0.00   0.01
    20   1     0.00   0.02  -0.02    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    21   1     0.08  -0.03  -0.06     0.00   0.00  -0.00     0.01  -0.00  -0.00
    22   1    -0.02  -0.07   0.14     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.00  -0.00     0.03  -0.25  -0.05
    24   1     0.02   0.01   0.02    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.11  -0.01  -0.05     0.73  -0.05  -0.34     0.01  -0.00  -0.01
    26   1     0.02   0.01   0.03     0.15   0.09   0.17    -0.00  -0.00  -0.00
    27   1     0.01  -0.06  -0.01     0.04  -0.28  -0.05     0.00  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.365571522.783631642.11088
           X            0.99896  -0.04244   0.01648
           Y            0.04241   0.99910   0.00234
           Z           -0.01656  -0.00164   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06972     0.05688     0.05275
 Rotational constants (GHZ):           1.45267     1.18516     1.09904
 Zero-point vibrational energy     631682.9 (Joules/Mol)
                                  150.97584 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    155.77   243.56   264.44   313.25   324.37
          (Kelvin)            347.14   377.71   418.26   432.68   553.67
                              569.00   597.60   685.71   755.34   807.14
                              829.47   891.68   939.32  1028.03  1088.28
                             1203.65  1241.10  1256.11  1332.46  1357.58
                             1363.48  1381.82  1390.02  1442.01  1484.75
                             1496.98  1521.78  1584.69  1610.04  1654.86
                             1687.37  1713.03  1751.40  1766.59  1794.31
                             1825.55  1834.08  1873.77  1911.03  1920.84
                             1942.62  2025.57  2033.06  2054.45  2096.67
                             2132.53  2137.69  2143.39  2151.03  2157.25
                             2170.41  2177.84  2191.32  2585.60  4364.88
                             4369.43  4374.16  4398.95  4406.51  4411.79
                             4438.55  4441.06  4447.32  4448.26  4457.88
                             4460.54  4462.04  4468.43  4476.82  4500.24
 
 Zero-point correction=                           0.240595 (Hartree/Particle)
 Thermal correction to Energy=                    0.251264
 Thermal correction to Enthalpy=                  0.252208
 Thermal correction to Gibbs Free Energy=         0.205938
 Sum of electronic and zero-point Energies=           -465.914442
 Sum of electronic and thermal Energies=              -465.903773
 Sum of electronic and thermal Enthalpies=            -465.902829
 Sum of electronic and thermal Free Energies=         -465.949099
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.670             43.591             97.384
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.893             37.630             26.896
 Vibration     1          0.606              1.943              3.300
 Vibration     2          0.625              1.880              2.443
 Vibration     3          0.631              1.862              2.289
 Vibration     4          0.646              1.814              1.978
 Vibration     5          0.650              1.802              1.915
 Vibration     6          0.658              1.777              1.793
 Vibration     7          0.670              1.741              1.645
 Vibration     8          0.687              1.691              1.470
 Vibration     9          0.693              1.672              1.413
 Vibration    10          0.754              1.503              1.020
 Vibration    11          0.762              1.480              0.979
 Vibration    12          0.779              1.437              0.908
 Vibration    13          0.833              1.302              0.719
 Vibration    14          0.880              1.195              0.599
 Vibration    15          0.917              1.116              0.522
 Vibration    16          0.933              1.082              0.492
 Vibration    17          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.188532D-94        -94.724615       -218.111486
 Total V=0       0.873882D+16         15.941453         36.706551
 Vib (Bot)       0.405192-108       -108.392339       -249.582585
 Vib (Bot)    1  0.189243D+01          0.277019          0.637860
 Vib (Bot)    2  0.119076D+01          0.075826          0.174595
 Vib (Bot)    3  0.109134D+01          0.037961          0.087408
 Vib (Bot)    4  0.909375D+00         -0.041257         -0.094998
 Vib (Bot)    5  0.875366D+00         -0.057810         -0.133113
 Vib (Bot)    6  0.812202D+00         -0.090336         -0.208007
 Vib (Bot)    7  0.738947D+00         -0.131386         -0.302528
 Vib (Bot)    8  0.657566D+00         -0.182061         -0.419211
 Vib (Bot)    9  0.632135D+00         -0.199190         -0.458652
 Vib (Bot)   10  0.468253D+00         -0.329520         -0.758747
 Vib (Bot)   11  0.452174D+00         -0.344694         -0.793688
 Vib (Bot)   12  0.424247D+00         -0.372381         -0.857439
 Vib (Bot)   13  0.351943D+00         -0.453528         -1.044286
 Vib (Bot)   14  0.306054D+00         -0.514202         -1.183994
 Vib (Bot)   15  0.276784D+00         -0.557859         -1.284517
 Vib (Bot)   16  0.265239D+00         -0.576363         -1.327124
 Vib (Bot)   17  0.236030D+00         -0.627032         -1.443795
 Vib (V=0)       0.187814D+03          2.273728          5.235452
 Vib (V=0)    1  0.245736D+01          0.390470          0.899090
 Vib (V=0)    2  0.179148D+01          0.253212          0.583042
 Vib (V=0)    3  0.170043D+01          0.230558          0.530880
 Vib (V=0)    4  0.153777D+01          0.186891          0.430332
 Vib (V=0)    5  0.150810D+01          0.178430          0.410851
 Vib (V=0)    6  0.145377D+01          0.162495          0.374158
 Vib (V=0)    7  0.139221D+01          0.143706          0.330894
 Vib (V=0)    8  0.132607D+01          0.122567          0.282220
 Vib (V=0)    9  0.130597D+01          0.115935          0.266950
 Vib (V=0)   10  0.118503D+01          0.073728          0.169765
 Vib (V=0)   11  0.117414D+01          0.069719          0.160534
 Vib (V=0)   12  0.115573D+01          0.062857          0.144735
 Vib (V=0)   13  0.111144D+01          0.045888          0.105660
 Vib (V=0)   14  0.108623D+01          0.035923          0.082716
 Vib (V=0)   15  0.107150D+01          0.029991          0.069057
 Vib (V=0)   16  0.106600D+01          0.027756          0.063910
 Vib (V=0)   17  0.105291D+01          0.022392          0.051559
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630944D+06          5.799991         13.354972
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000886   -0.000000624   -0.000000853
      2        6          -0.000001823    0.000001196    0.000000420
      3        6          -0.000003864   -0.000000675    0.000001506
      4        6          -0.000002691    0.000001003    0.000001500
      5        6          -0.000000496    0.000000410   -0.000000659
      6        6           0.000001550   -0.000002009    0.000004442
      7        6           0.000000625   -0.000004814    0.000003888
      8        6          -0.000000547   -0.000000520    0.000000545
      9        8           0.000001228   -0.000003770    0.000006024
     10        6           0.000000256    0.000002873   -0.000005255
     11        6           0.000004356   -0.000000260   -0.000002486
     12        1          -0.000005458    0.000002856   -0.000000422
     13        1          -0.000006148    0.000000562    0.000003681
     14        1          -0.000005562    0.000001007    0.000003175
     15        1          -0.000005411    0.000002485   -0.000001167
     16        1           0.000003433   -0.000003274    0.000003782
     17        1          -0.000000805   -0.000002211    0.000006038
     18        1           0.000001291    0.000000198   -0.000000004
     19        1          -0.000001350   -0.000000487    0.000002343
     20        1           0.000002441   -0.000000609   -0.000000480
     21        1          -0.000000921    0.000001618   -0.000002196
     22        1          -0.000002502    0.000003740   -0.000005094
     23        1           0.000000959    0.000002612   -0.000006166
     24        1           0.000001618    0.000002924   -0.000006008
     25        1           0.000006310   -0.000002667    0.000000032
     26        1           0.000006630   -0.000000713   -0.000003137
     27        1           0.000005994   -0.000000849   -0.000003451
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000006630 RMS     0.000003094
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140922D+03  0.176139D+01 -0.689588D+00
      2   0.176139D+01  0.134103D+03  0.183965D+01
      3  -0.689588D+00  0.183965D+01  0.130377D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114321D+00 -0.522955D+01  0.258405D+01
      2   0.259270D+01 -0.485981D+01  0.237134D+02
      3   0.564823D+01 -0.194028D+02  0.570849D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.224154D+02 -0.159491D+02  0.132383D+02
      2  -0.154965D+02  0.636135D+01 -0.782786D+01
      3  -0.691883D+01  0.958773D+01 -0.541048D+01
      4  -0.190572D+02  0.368613D+02 -0.168743D+02
      5   0.951108D+01 -0.169140D+02  0.479201D+02
      6  -0.880516D+01 -0.138362D+02 -0.365026D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.275223D+01  0.210463D+01  0.767380D+01  0.150461D+01  0.339000D+01
      2   0.210463D+01  0.397541D+01  0.559350D+00  0.339000D+01 -0.822594D+01
      3   0.767380D+01  0.559350D+00  0.390135D+01  0.211848D-01 -0.219144D+01
                 6             7             8             9            10 
      1   0.211848D-01  0.955841D+01  0.765783D+00  0.277412D+01 -0.677196D+01
      2  -0.219144D+01  0.765783D+00 -0.208520D+01  0.546917D+01 -0.274959D+01
      3   0.416525D+01  0.277412D+01  0.546917D+01 -0.140884D+01 -0.569098D+01
                11            12            13            14            15 
      1  -0.274959D+01 -0.569098D+01 -0.370208D+01  0.901119D+00  0.304499D+01
      2   0.106057D+01  0.268524D+01  0.901119D+00  0.843462D+00  0.409298D+01
      3   0.268524D+01 -0.103723D+01  0.304499D+01  0.409298D+01 -0.545343D+01
                16            17            18            19            20 
      1  -0.581638D+01  0.284059D+01 -0.310976D+01  0.328525D+01 -0.552928D+00
      2   0.284059D+01  0.310379D+01 -0.378547D+01 -0.552928D+00 -0.187978D+01
      3  -0.310976D+01 -0.378547D+01 -0.203562D+01  0.596962D+01 -0.358672D+01
                21            22            23            24            25 
      1   0.596962D+01  0.110909D+01 -0.292324D+00 -0.546802D+01  0.390670D+01
      2  -0.358672D+01 -0.292324D+00  0.671426D+00 -0.324282D+01 -0.324443D+01
      3  -0.118025D+01 -0.546802D+01 -0.324282D+01  0.340970D+01 -0.305059D+00
                26            27            28            29            30 
      1  -0.324443D+01 -0.305059D+00 -0.531029D+01 -0.335355D+01  0.330486D+01
      2  -0.434754D+01  0.207852D+01 -0.335355D+01  0.516869D+01  0.127659D+01
      3   0.207852D+01  0.370365D+01  0.330486D+01  0.127659D+01 -0.350909D+00
                31            32            33            34            35 
      1  -0.132336D+01  0.413441D+01  0.140965D+01  0.266463D+01  0.135595D+01
      2   0.413441D+01 -0.484712D+01  0.273793D+01  0.135595D+01  0.215820D+01
      3   0.140965D+01  0.273793D+01  0.255326D+01 -0.144554D+00  0.196408D+01
                36            37            38            39            40 
      1  -0.144554D+00  0.129790D+01 -0.171306D+01 -0.565482D+01  0.161841D+00
      2   0.196408D+01 -0.171306D+01 -0.438141D+01 -0.223432D+01 -0.601759D+01
      3  -0.351727D+01 -0.565482D+01 -0.223432D+01 -0.236944D+01 -0.254846D+01
                41            42            43            44            45 
      1  -0.601759D+01 -0.254846D+01 -0.455602D+01 -0.229308D+01 -0.256783D+01
      2   0.654208D+01 -0.213402D+01 -0.229308D+01 -0.244216D+00 -0.487605D+01
      3  -0.213402D+01 -0.365083D+01 -0.256783D+01 -0.487605D+01  0.256572D+01
                46            47            48            49            50 
      1   0.116062D+02  0.436324D+01  0.711543D-02  0.408877D+01 -0.123120D+01
      2   0.436324D+01 -0.445615D+01 -0.414123D+01 -0.123120D+01 -0.853656D+00
      3   0.711543D-02 -0.414123D+01 -0.214378D+01 -0.258333D+01 -0.122992D+01
                51            52            53            54            55 
      1  -0.258333D+01  0.122737D+00 -0.180794D+01  0.591395D+00 -0.201745D+01
      2  -0.122992D+01 -0.180794D+01 -0.744469D+00  0.691963D+00 -0.153884D+01
      3   0.380790D+00  0.591395D+00  0.691963D+00  0.225870D+01  0.179676D+01
                56            57            58            59            60 
      1  -0.153884D+01  0.179676D+01 -0.215958D+01  0.496418D+01  0.145798D+01
      2   0.636527D+01  0.182216D+01  0.496418D+01 -0.438566D+01  0.167404D+01
      3   0.182216D+01  0.186592D+01  0.145798D+01  0.167404D+01  0.255682D+01
                61            62            63            64            65 
      1   0.422351D+00 -0.651688D+00  0.147881D+01  0.184132D+01  0.288790D+01
      2  -0.651688D+00  0.217040D+01  0.765861D+00  0.288790D+01 -0.200661D+00
      3   0.147881D+01  0.765861D+00 -0.786225D+01  0.660598D+01 -0.165935D+01
                66            67            68            69            70 
      1   0.660598D+01  0.205993D+01 -0.873324D+00 -0.181418D+01  0.556023D+01
      2  -0.165935D+01 -0.873324D+00  0.107854D+00 -0.403996D+01 -0.193555D+01
      3   0.146662D+01 -0.181418D+01 -0.403996D+01  0.344411D+01  0.143366D+01
                71            72            73            74            75 
      1  -0.193555D+01  0.143366D+01 -0.210521D+02 -0.417148D+01  0.157183D+01
      2  -0.412255D+01  0.427686D+01 -0.417148D+01 -0.149196D+01  0.138094D+01
      3   0.427686D+01  0.111773D+01  0.157183D+01  0.138094D+01 -0.148817D+01
                76            77            78            79            80 
      1  -0.471143D+01 -0.444291D+01  0.840948D+00  0.459634D+00  0.267622D+00
      2  -0.444291D+01 -0.275940D+01  0.904402D+00  0.267622D+00  0.205637D+00
      3   0.840948D+00  0.904402D+00 -0.529563D+00 -0.387819D+01 -0.114772D+01
                81            82            83            84            85 
      1  -0.387819D+01 -0.180146D+01 -0.239846D+01 -0.583632D+01 -0.318265D+01
      2  -0.114772D+01 -0.239846D+01 -0.207843D+01 -0.479540D+00 -0.325964D+01
      3  -0.105345D+00 -0.583632D+01 -0.479540D+00 -0.254782D+01 -0.586898D+00
                86            87            88            89            90 
      1  -0.325964D+01 -0.586898D+00 -0.696129D+01 -0.586566D+00 -0.337757D+01
      2   0.776137D+01  0.248359D+01 -0.586566D+00  0.231602D+01 -0.379388D+01
      3   0.248359D+01 -0.395016D+01 -0.337757D+01 -0.379388D+01  0.345647D+01
                91            92            93            94            95 
      1   0.259030D+01 -0.767783D+00 -0.685015D+01 -0.123786D+01 -0.252860D+01
      2  -0.767783D+00 -0.222594D+01 -0.960974D+00 -0.252860D+01  0.792380D+01
      3  -0.685015D+01 -0.960974D+00 -0.227547D+01 -0.119963D+01  0.150945D+01
                96            97            98            99           100 
      1  -0.119963D+01 -0.624750D+01 -0.121215D+01 -0.231585D+01  0.313455D+01
      2   0.150945D+01 -0.121215D+01  0.263716D+01 -0.368300D+01 -0.484210D+00
      3  -0.435011D+01 -0.231585D+01 -0.368300D+01 -0.746457D+00 -0.314765D+01
               101           102           103           104           105 
      1  -0.484210D+00 -0.314765D+01 -0.139941D+01  0.886332D+00  0.191163D+01
      2   0.155792D+01  0.994722D+00  0.886332D+00 -0.146131D+01 -0.118463D+01
      3   0.994722D+00  0.437174D+01  0.191163D+01 -0.118463D+01 -0.348558D+01
               106           107           108           109           110 
      1  -0.245468D+01  0.681327D+00  0.286058D+01 -0.595319D+01  0.128349D+01
      2   0.681327D+00 -0.106936D+01 -0.140689D+01  0.128349D+01 -0.174797D+01
      3   0.286058D+01 -0.140689D+01 -0.827515D+01 -0.458822D+01  0.166725D+01
               111           112           113           114           115 
      1  -0.458822D+01  0.107289D+01 -0.116522D+01  0.115890D+01 -0.261867D+01
      2   0.166725D+01 -0.116522D+01  0.121185D+01 -0.106673D+01  0.997732D+00
      3  -0.470463D+01  0.115890D+01 -0.106673D+01  0.101645D+01 -0.262991D+01
               116           117           118           119           120 
      1   0.997732D+00 -0.262991D+01 -0.127635D+01  0.263426D+01 -0.836325D+00
      2  -0.687615D+00  0.847001D+00  0.263426D+01 -0.495041D+01  0.861524D+00
      3   0.847001D+00 -0.481725D+01 -0.836325D+00  0.861524D+00 -0.109284D+01
               121           122           123           124           125 
      1   0.191485D+01 -0.253561D+01  0.325881D+00 -0.451868D+00 -0.104003D-01
      2  -0.253561D+01  0.111002D+02 -0.214053D+01 -0.104003D-01 -0.102748D+01
      3   0.325881D+00 -0.214053D+01  0.155946D+01 -0.504940D+00  0.125467D+01
               126           127           128           129           130 
      1  -0.504940D+00  0.864028D+01  0.352498D+01 -0.284741D+01  0.189472D+01
      2   0.125467D+01  0.352498D+01  0.298758D+01 -0.151012D+01  0.171950D+01
      3  -0.384339D+00 -0.284741D+01 -0.151012D+01  0.257569D+01 -0.891833D+00
               131           132           133           134           135 
      1   0.171950D+01 -0.891833D+00 -0.247038D+01 -0.115067D+01  0.196748D+01
      2   0.231521D+01 -0.105877D+01 -0.115067D+01 -0.130344D+01  0.815584D+00
      3  -0.105877D+01  0.468683D+00  0.196748D+01  0.815584D+00 -0.161385D+01
               136           137           138           139           140 
      1  -0.679103D-01  0.183851D+00  0.152080D+01 -0.413334D+00 -0.526192D+00
      2   0.183851D+00 -0.849892D+00 -0.525298D+00 -0.526192D+00  0.406864D+00
      3   0.152080D+01 -0.525298D+00 -0.170635D+01  0.214568D+00  0.103549D+01
               141           142           143           144           145 
      1   0.214568D+00  0.211309D+01 -0.136371D+00 -0.176549D+01 -0.348430D+01
      2   0.103549D+01 -0.136371D+00  0.179317D+01  0.123114D+01  0.339595D+01
      3  -0.126772D+01 -0.176549D+01  0.123114D+01  0.118596D+02  0.227474D+00
               146           147           148           149           150 
      1   0.339595D+01  0.227474D+00  0.361997D+01 -0.390485D+01 -0.575109D+00
      2  -0.473863D+01 -0.941102D+00 -0.390485D+01  0.937109D+01  0.515738D+00
      3  -0.941102D+00 -0.105036D+01 -0.575109D+00  0.515738D+00  0.126618D+01
               151           152           153           154           155 
      1  -0.107938D+01  0.788187D+00 -0.515650D+00  0.499194D+01  0.323200D+01
      2   0.788187D+00 -0.151451D+01  0.116404D+01  0.323200D+01  0.347979D+01
      3  -0.515650D+00  0.116404D+01  0.826825D+00  0.349705D+01  0.201587D+01
               156           157           158           159           160 
      1   0.349705D+01  0.199135D+01  0.290740D+01  0.129591D+01  0.328932D+01
      2   0.201587D+01  0.290740D+01  0.378414D+01  0.247001D+01  0.194576D+01
      3   0.318457D+01  0.129591D+01  0.247001D+01  0.251306D+01  0.306452D+01
               161           162           163           164           165 
      1   0.194576D+01  0.306452D+01 -0.619485D+01 -0.213878D+01 -0.425782D+01
      2   0.277377D+01  0.328749D+01 -0.213878D+01 -0.256022D+01 -0.141674D+01
      3   0.328749D+01  0.461136D+01 -0.425782D+01 -0.141674D+01 -0.405254D+01
               166           167           168           169           170 
      1  -0.629516D+00 -0.109873D+01 -0.221512D+00 -0.384361D+01 -0.947791D+00
      2  -0.109873D+01 -0.400799D+00 -0.441152D+00 -0.947791D+00 -0.105466D+01
      3  -0.221512D+00 -0.441152D+00 -0.471355D+00 -0.319292D+01 -0.189306D+01
               171           172           173           174           175 
      1  -0.319292D+01 -0.865553D+00 -0.140408D+01  0.513617D-02 -0.117363D+01
      2  -0.189306D+01 -0.140408D+01 -0.123190D+01  0.598560D+00 -0.102669D+01
      3  -0.436430D+01  0.513617D-02  0.598560D+00 -0.573371D+00  0.478547D+00
               176           177           178           179           180 
      1  -0.102669D+01  0.478547D+00  0.785912D+00  0.105144D+01 -0.469230D+00
      2  -0.695402D+01  0.286393D+01  0.105144D+01  0.546752D+01 -0.267725D+01
      3   0.286393D+01 -0.231335D+01 -0.469230D+00 -0.267725D+01  0.361269D+01
               181           182           183           184           185 
      1   0.416783D+01 -0.209534D+01 -0.288092D+01 -0.138212D+01  0.173676D+01
      2  -0.209534D+01  0.334936D+01  0.206878D+01  0.173676D+01 -0.224613D+01
      3  -0.288092D+01  0.206878D+01  0.301102D+01  0.118109D+01 -0.106163D+01
               186           187           188           189           190 
      1   0.118109D+01 -0.272840D+01  0.137693D+01  0.190183D+01  0.103737D+01
      2  -0.106163D+01  0.137693D+01 -0.190512D+01 -0.252365D+01  0.103264D+01
      3  -0.154733D+01  0.190183D+01 -0.252365D+01 -0.390517D+01 -0.111761D+01
               191           192           193           194           195 
      1   0.103264D+01 -0.111761D+01  0.208156D+01  0.532328D+00 -0.612255D+00
      2   0.376906D+00 -0.312138D+00  0.532328D+00  0.116211D+01 -0.178257D+01
      3  -0.312138D+00  0.161168D+01 -0.612255D+00 -0.178257D+01  0.255717D+01
               196           197           198           199           200 
      1  -0.255282D+01 -0.199585D+00  0.246571D+01  0.141167D+01 -0.146482D+01
      2  -0.199585D+00 -0.217662D+01  0.215213D+01 -0.146482D+01  0.150022D+01
      3   0.246571D+01  0.215213D+01 -0.671611D+01  0.104299D+00  0.318858D+00
               201           202           203           204           205 
      1   0.104299D+00 -0.345970D+01  0.356249D+01  0.731773D+00  0.174412D+00
      2   0.318858D+00  0.356249D+01 -0.967503D+01 -0.158635D+01  0.473543D+00
      3   0.441720D+00  0.731773D+00 -0.158635D+01 -0.139244D+01  0.907851D+00
               206           207           208           209           210 
      1   0.473543D+00  0.907851D+00  0.896925D+01  0.126197D+01  0.340257D+01
      2  -0.131923D+01 -0.995920D+00  0.126197D+01  0.134615D+01  0.401698D+00
      3  -0.995920D+00 -0.964415D+00  0.340257D+01  0.401698D+00  0.228104D+01
               211           212           213           214           215 
      1   0.317498D+01  0.182435D+01  0.961473D+00  0.652167D+01  0.550145D+00
      2   0.182435D+01  0.253342D+00  0.493908D+00  0.550145D+00  0.970620D+00
      3   0.961473D+00  0.493908D+00  0.127757D+01  0.324023D+01  0.872324D+00
               216           217           218           219           220 
      1   0.324023D+01 -0.614363D+01  0.247129D-01  0.304728D+01  0.269670D+00
      2   0.872324D+00  0.247129D-01 -0.164787D+01  0.116598D+01 -0.842449D+00
      3   0.277652D+01  0.304728D+01  0.116598D+01 -0.374351D+01  0.432556D+00
               221           222           223           224           225 
      1  -0.842449D+00  0.432556D+00  0.263641D+01  0.460937D+00 -0.205698D+01
      2  -0.671353D+00  0.325088D+00  0.460937D+00  0.436890D+00 -0.132869D+00
      3   0.325088D+00  0.373447D+00 -0.205698D+01 -0.132869D+00  0.343887D+01
               226           227           228           229           230 
      1   0.451396D+01  0.325955D+00  0.425477D+01  0.157380D+01  0.109256D+01
      2   0.325955D+00  0.145291D+01  0.115668D+00  0.109256D+01  0.145188D+00
      3   0.425477D+01  0.115668D+00  0.499237D+01  0.128354D+01  0.799276D+00
               231           232           233           234           235 
      1   0.128354D+01  0.342470D+01  0.297332D+00  0.382818D+01  0.698983D+00
      2   0.799276D+00  0.297332D+00  0.717731D+00  0.656194D+00 -0.142263D+01
      3   0.265271D+01  0.382818D+01  0.656194D+00  0.691073D+01  0.718878D+00
               236           237           238           239           240 
      1  -0.142263D+01  0.718878D+00 -0.174336D+01  0.209390D+01 -0.249411D+00
      2   0.182045D+01 -0.165658D+00  0.209390D+01 -0.111196D+02  0.125470D+01
      3  -0.165658D+00  0.612963D+00 -0.249411D+00  0.125470D+01 -0.178280D+01
               241           242           243 
      1   0.140782D+00  0.322948D+00  0.319569D+00
      2   0.322948D+00 -0.114890D+01 -0.611263D+00
      3   0.319569D+00 -0.611263D+00 -0.422528D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197315D+01  0.134604D+01  0.215334D+01  0.324524D+01 -0.729250D+01
      2   0.121503D+02 -0.247346D+00  0.430805D+01  0.239491D+01 -0.537404D+01
      3   0.130374D+01 -0.826864D+01 -0.263952D+01  0.582653D+00  0.918459D+01
                 6             7             8             9            10 
      1  -0.424798D+01  0.564632D+01  0.450943D+01  0.209877D+01 -0.522709D+01
      2   0.369053D+01 -0.325216D+01  0.410962D+01 -0.330076D+01 -0.367812D+01
      3   0.336105D+01 -0.303676D+01  0.376390D+01 -0.437950D+01 -0.246416D+01
                11            12            13            14            15 
      1  -0.313320D+01  0.127318D+01  0.188037D+01  0.509838D+01 -0.142114D+02
      2  -0.383296D+01  0.229330D+01 -0.440876D+01 -0.400213D+00  0.169814D+01
      3  -0.365232D+01  0.474845D+01  0.881039D+01  0.526804D+00  0.146362D+01
                16            17            18            19            20 
      1  -0.766267D+01 -0.272158D-02 -0.233081D+01  0.555418D+01  0.510547D+01
      2  -0.767260D+01  0.474156D+01 -0.716937D+01  0.654238D+01 -0.154565D+01
      3   0.430496D+01  0.333352D+01  0.270516D+00 -0.438655D+00 -0.528647D+01
                21            22            23            24            25 
      1   0.516467D+01 -0.132665D+01  0.218857D+01  0.723612D+01  0.599289D+01
      2   0.138572D+02 -0.806622D+00 -0.907654D+00 -0.986635D+01  0.484242D+01
      3   0.636410D+00  0.391574D+00 -0.273605D+00 -0.193500D+01  0.124369D+01
                26            27            28            29            30 
      1   0.122639D+02 -0.150216D+01 -0.632145D+01 -0.783640D+01 -0.133733D+01
      2  -0.920243D+01  0.112178D+01 -0.241639D+01 -0.225820D+01  0.606485D+01
      3  -0.220345D+01  0.461856D+00 -0.104893D+02 -0.152382D+02  0.727714D+01
                31            32            33            34            35 
      1  -0.711090D+01 -0.309207D+01 -0.131078D+02 -0.280080D+00 -0.616775D+01
      2  -0.507692D+00  0.597626D+01  0.379089D+01  0.608823D+00  0.273537D+01
      3  -0.433653D+01  0.148796D+02  0.691147D+00  0.656532D+01  0.199428D+01
                36            37            38            39            40 
      1   0.784184D+01  0.495028D+01  0.115952D+01  0.626075D+00  0.311275D+00
      2  -0.515871D+01 -0.721747D+01 -0.134190D+01  0.514531D+01 -0.171200D+01
      3  -0.199487D+01  0.634427D+01 -0.307120D+01 -0.501383D+01  0.719206D+01
                41            42            43            44            45 
      1   0.679702D+01  0.156795D+01 -0.905135D+00  0.997573D+01 -0.927990D+01
      2   0.225105D+01 -0.157032D+01 -0.309215D+01 -0.120206D+01  0.377638D+01
      3  -0.120669D+02 -0.183336D+01 -0.404549D+01 -0.231107D+01 -0.215246D+00
                46            47            48            49            50 
      1   0.392043D+01  0.176270D+01  0.542960D+01  0.416995D+01 -0.145965D+02
      2  -0.336040D+01  0.812474D+01 -0.466606D+01  0.687814D+01 -0.363427D+01
      3   0.767505D-01  0.336603D+01 -0.769066D+01  0.663520D+01  0.319136D+01
                51            52            53            54            55 
      1  -0.486946D+00  0.241449D+01  0.108538D+02  0.152501D+02 -0.635873D+01
      2  -0.868734D+00 -0.122487D+02  0.691068D+00  0.631425D+01  0.320023D+01
      3  -0.281798D+01 -0.812164D+01 -0.319585D+01  0.612559D+00 -0.641358D+01
                56            57            58            59            60 
      1   0.743396D+01 -0.249012D+01  0.583791D+01 -0.711196D+01 -0.791593D+01
      2   0.127805D+01 -0.451938D+01  0.129466D+01 -0.779817D+01 -0.252273D+01
      3   0.398693D+01  0.628038D+01  0.761337D+01  0.148897D+01  0.119480D+01
                61            62            63            64            65 
      1  -0.615250D+00  0.640450D+01  0.147680D+02  0.842103D+01 -0.188027D+01
      2  -0.944005D+01  0.636229D+00  0.958972D+01 -0.276905D+01  0.566552D+01
      3   0.424840D+01 -0.622815D+00  0.299310D+01 -0.170737D+01 -0.110554D+02
                66            67            68            69            70 
      1   0.496870D+01 -0.340194D+01 -0.900860D+01  0.100625D+02  0.421666D+01
      2   0.950567D+01  0.333734D+01  0.245526D+01 -0.467182D+01  0.322543D+01
      3  -0.157071D+02 -0.260112D+01  0.177821D+01  0.930517D+00 -0.129299D+02
                71            72            73            74            75 
      1   0.186022D+02 -0.285792D+01 -0.692673D-01 -0.494245D+00 -0.604215D+01
      2  -0.650272D+01  0.108816D+01  0.351078D+01  0.740594D+00  0.168198D+02
      3  -0.227676D+00 -0.493558D+00 -0.371399D+01 -0.179219D+02 -0.465640D-01
                76            77            78            79            80 
      1  -0.299782D+01  0.294821D+01 -0.243175D+01  0.970739D+00 -0.106295D+01
      2  -0.196936D+01  0.311501D+01  0.421914D+01  0.495924D+01  0.689318D+00
      3  -0.344297D+01 -0.903336D+01  0.253361D+00  0.735864D+00  0.102368D+01
                81            82            83            84            85 
      1  -0.567727D+01 -0.306849D+01  0.567028D-01 -0.211471D+01 -0.280927D+00
      2  -0.194343D+01 -0.146133D+02 -0.102755D+01 -0.609979D+01 -0.243228D+01
      3  -0.310652D+01  0.679590D+01  0.515788D+01  0.406535D+01  0.150289D+02
                86            87            88            89            90 
      1   0.995329D+00 -0.558091D+01 -0.504210D+01 -0.548075D+00  0.374994D+01
      2   0.709999D+01 -0.102280D+02 -0.157764D+02 -0.904559D+01  0.109929D+02
      3  -0.189592D+02 -0.749406D+01  0.564592D+01 -0.691417D+01  0.121662D+02
                91            92            93            94            95 
      1  -0.107410D+02 -0.518883D+01 -0.432198D+01 -0.732324D+01  0.197403D+02
      2  -0.134519D+02 -0.675114D+00  0.160785D+02 -0.459486D-01  0.597499D+01
      3  -0.370097D+01  0.738222D-01  0.109863D+02  0.564460D+01 -0.537546D+01
                96            97            98            99           100 
      1  -0.646822D+01 -0.466364D+01  0.328017D+01 -0.104393D+02  0.535097D+00
      2  -0.162716D+01  0.790777D+01 -0.216099D+01  0.334732D+01  0.777917D+01
      3   0.318944D-01  0.885119D+01 -0.183267D+01  0.601835D+01  0.129752D+01
               101           102           103           104           105 
      1  -0.555037D+01 -0.263136D+01 -0.465272D+00  0.460644D+01 -0.297305D+00
      2  -0.175430D+01 -0.392257D+01 -0.318189D+01  0.167335D+01  0.215103D+01
      3  -0.160643D+01 -0.111448D+01  0.785652D+00  0.370804D+00  0.341048D+00
               106           107           108           109           110 
      1  -0.210998D+01  0.590734D+01  0.389605D+01 -0.421472D+00  0.441159D+01
      2  -0.699132D+01  0.176215D+01  0.404164D+01 -0.132679D+02  0.181272D+01
      3  -0.429756D+00  0.160619D+01  0.775179D+00 -0.380874D+01 -0.207348D+01
               111           112           113           114           115 
      1  -0.333921D+00  0.132329D+01 -0.202430D+01 -0.398954D+00  0.130825D+00
      2  -0.523566D+01  0.280300D+01 -0.198784D+01  0.222918D+01 -0.643675D+01
      3  -0.205288D+01  0.177831D+01  0.217985D+00  0.649703D+00 -0.189461D+01
               116           117           118           119           120 
      1   0.202818D+01  0.558576D+00 -0.373357D+00  0.366308D+01  0.339786D+01
      2   0.181947D+01 -0.421612D+01 -0.238305D+01  0.275773D+01 -0.127552D-02
      3  -0.544215D+00 -0.171771D+01 -0.595584D+01  0.756546D+01 -0.214680D+01
               121           122           123           124           125 
      1   0.227548D+01 -0.642595D+01 -0.511903D+01  0.112337D+01  0.670479D-01
      2   0.256101D+01 -0.411520D+01  0.563124D+00 -0.171777D+01  0.112688D+01
      3   0.916967D+01 -0.121486D+02  0.171289D+01 -0.117394D+01  0.735426D+00
               126           127           128           129           130 
      1  -0.835328D+00  0.332396D+01 -0.109032D+01 -0.554582D+01  0.245406D+00
      2  -0.205719D+00  0.754203D+01  0.173789D+01  0.201642D+01  0.102657D+01
      3  -0.217269D+01  0.177887D+02  0.166627D+01 -0.456344D+01  0.336067D+01
               131           132           133           134           135 
      1   0.707987D+00 -0.965319D+00 -0.325038D+01  0.160603D+01  0.212631D+01
      2   0.738921D+00  0.178143D+00 -0.247478D+01 -0.572835D+00 -0.207092D+00
      3   0.130117D+01 -0.122754D+01 -0.488968D+01 -0.861666D+00  0.370993D+01
               136           137           138           139           140 
      1  -0.152665D+01  0.395319D+00  0.302076D+01  0.417122D+00 -0.161668D+01
      2  -0.151060D+01  0.675713D+00  0.149012D+01  0.705030D+00 -0.178431D+00
      3   0.437222D+00 -0.243251D+01  0.906284D+00 -0.923773D-01 -0.156131D+01
               141           142           143           144           145 
      1   0.453343D+01  0.299592D+01  0.176324D+01 -0.206758D+02  0.395578D+01
      2   0.256301D+01 -0.353097D+01 -0.141513D+01 -0.119183D+02  0.402557D+01
      3   0.119209D+01  0.292912D+01  0.233333D+01 -0.281803D+01 -0.153541D+01
               146           147           148           149           150 
      1  -0.786551D+01  0.167591D+00 -0.492414D+01  0.131649D+02 -0.276545D+01
      2  -0.413959D+01  0.263637D+01 -0.449725D+01  0.637570D+01 -0.125897D+01
      3  -0.249342D+01 -0.101835D+01  0.448239D+01  0.533490D+01 -0.447628D+00
               151           152           153           154           155 
      1   0.145255D+01 -0.391631D+01  0.588842D+00 -0.246783D+01  0.131614D+01
      2   0.114578D+01 -0.220515D+01  0.657086D+00 -0.215823D+01 -0.694508D+00
      3  -0.144369D+01 -0.131328D+01  0.378609D+00  0.603692D+01 -0.427515D+00
               156           157           158           159           160 
      1  -0.412079D+01 -0.496950D+00 -0.201140D+00 -0.450450D+01 -0.228181D+01
      2   0.197639D+01 -0.168635D+01 -0.278635D+00  0.159470D+01 -0.225514D+01
      3   0.343614D+01  0.341469D+01  0.804007D+00  0.598832D+00  0.446517D+01
               161           162           163           164           165 
      1   0.202338D+00 -0.481694D+01 -0.527564D+01  0.176401D+01 -0.693207D+01
      2   0.127973D+01  0.253229D+01 -0.638414D+01 -0.117569D+01  0.169026D+00
      3  -0.701219D+00  0.169493D+01  0.128114D+02 -0.287106D+00  0.774657D+01
               166           167           168           169           170 
      1   0.167821D+00 -0.255171D+00 -0.163080D+01 -0.539981D+01 -0.183281D+00
      2  -0.617285D+00 -0.115009D+01  0.142835D-01 -0.438915D+01 -0.796623D-01
      3   0.164597D+01  0.177253D+01  0.699835D+00  0.802592D+01  0.357299D+00
               171           172           173           174           175 
      1  -0.633438D+01  0.158610D+01  0.250464D+01 -0.159965D+01  0.245775D+01
      2  -0.162461D+00 -0.656050D+00 -0.199089D+01  0.133223D+01 -0.722688D+00
      3   0.569593D+01  0.103586D+01  0.103168D+01 -0.127340D-01  0.433685D+01
               176           177           178           179           180 
      1   0.134554D+02 -0.116882D+02 -0.139472D+01 -0.106730D+02  0.134643D+02
      2  -0.321285D+01  0.249735D+01 -0.428909D+00  0.312319D+01 -0.386540D+01
      3  -0.228494D+01  0.776863D+00 -0.284289D+01  0.166673D+01 -0.113168D+01
               181           182           183           184           185 
      1  -0.319276D+01 -0.187883D+01  0.448166D+01  0.412706D+00  0.596839D+00
      2   0.873430D+01 -0.344318D+01 -0.322137D+01 -0.257258D+01  0.237404D+01
      3  -0.120691D+02  0.373422D+01  0.673075D+01  0.510089D+01 -0.365966D+01
               186           187           188           189           190 
      1  -0.331870D+01  0.214521D+01 -0.494382D+00 -0.454583D+01 -0.112137D+01
      2   0.159881D+01 -0.607002D+01  0.282789D+01  0.337083D+01 -0.236426D+01
      3  -0.283056D+01  0.707619D+01 -0.251394D+01 -0.503571D+01 -0.274855D+01
               191           192           193           194           195 
      1  -0.617849D+00  0.681141D+00 -0.585025D-01 -0.272596D+01  0.155711D+01
      2  -0.268966D+00  0.396085D+01  0.526545D+00 -0.527144D+01  0.799911D+01
      3  -0.200470D+01  0.153131D+01 -0.373587D+00 -0.512641D+01  0.578041D+01
               196           197           198           199           200 
      1   0.100779D+01  0.517725D+01 -0.438265D+01  0.402207D+00 -0.594535D+00
      2   0.125385D+01  0.704188D+01 -0.190204D+02  0.355070D+00  0.323978D+00
      3   0.708626D+00  0.759685D+01 -0.758326D+01  0.306680D+01 -0.400685D+01
               201           202           203           204           205 
      1   0.578759D+00  0.265307D-01  0.164605D+01 -0.387255D+01  0.415685D+00
      2   0.194301D+01  0.860018D+00 -0.403527D+01 -0.478632D+01  0.100580D+01
      3  -0.788719D+00 -0.278416D+01  0.244245D+02  0.386774D+01 -0.862288D+00
               206           207           208           209           210 
      1   0.759128D+00 -0.826058D+00  0.213739D+01  0.107350D+01  0.103502D+01
      2  -0.218046D+01 -0.259470D+01  0.939457D+01  0.186336D+01  0.978042D+01
      3   0.392024D+01  0.196912D+01 -0.792589D+01 -0.692246D+01 -0.330743D+01
               211           212           213           214           215 
      1   0.896820D+00  0.801460D+00 -0.316273D+00  0.245535D+01  0.192930D+01
      2   0.259335D+01  0.129387D+01  0.428009D+01  0.670167D+01  0.245320D+01
      3  -0.460965D+01 -0.224516D+01 -0.158697D+01 -0.472157D+01 -0.431667D+01
               216           217           218           219           220 
      1   0.101201D+01  0.517724D+01 -0.395185D+01 -0.266502D+01 -0.197895D+01
      2   0.892606D+01  0.184220D+02 -0.584552D+00 -0.632206D+01 -0.780332D+00
      3  -0.410418D+01  0.963969D+01 -0.199944D+01 -0.424084D+01  0.651973D+00
               221           222           223           224           225 
      1   0.212124D-02  0.183082D+00 -0.231378D+01  0.214618D+01  0.349440D+01
      2   0.240157D+01 -0.399303D+00 -0.916134D+01 -0.573009D+00  0.542879D+01
      3   0.152091D+01 -0.826615D+00 -0.404390D+01  0.239794D+00  0.262765D+01
               226           227           228           229           230 
      1   0.593523D+01  0.479676D+01  0.605033D+01  0.339361D+01  0.195274D+01
      2  -0.576060D+01 -0.113044D+01 -0.796328D+00 -0.242630D+01 -0.103323D+01
      3  -0.485515D+01 -0.387899D+01 -0.455677D+01 -0.167982D+01 -0.167631D+01
               231           232           233           234           235 
      1   0.335468D+01  0.513377D+01  0.486873D+01  0.923892D+01 -0.170699D+01
      2   0.701464D+00 -0.651242D+01  0.205630D-01  0.433797D-01 -0.107440D-01
      3  -0.202023D+01 -0.441971D+01 -0.226990D+01 -0.502082D+01  0.308999D+00
               236           237           238           239           240 
      1   0.329276D+01  0.110624D+01  0.364974D+01 -0.212720D+02 -0.435692D+01
      2   0.205150D+01  0.597030D+00  0.338677D+01 -0.235267D+01 -0.196927D+01
      3  -0.100912D+01 -0.365966D+00  0.375396D+01  0.849897D+01 -0.873387D+00
               241           242           243 
      1   0.700713D+00 -0.224230D+01 -0.266278D+01
      2  -0.659695D+00 -0.802502D+00 -0.112062D+01
      3   0.554092D-01  0.125738D+01  0.399848D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127140D+02  0.423111D+01  0.168622D+02  0.544394D+01  0.986245D+01
      2  -0.680130D+00 -0.286245D+01 -0.107819D+02 -0.451971D+01 -0.244150D+01
      3   0.133941D+02 -0.136866D+01 -0.608026D+01 -0.924227D+00 -0.742096D+01
      4  -0.813028D+00  0.479365D+01 -0.614391D+01  0.690574D+01 -0.151353D+02
      5   0.147573D+02 -0.128057D+01  0.875456D+01  0.103578D+01  0.484298D+00
      6  -0.939823D+01  0.272994D+01 -0.170545D+01  0.360018D+01 -0.641340D+01
                 6             7             8             9            10 
      1  -0.492300D+01  0.208583D+02 -0.302542D+01  0.111700D+02  0.228360D+01
      2  -0.430972D+01 -0.110386D+02 -0.192282D+01 -0.536735D+01 -0.136814D+01
      3   0.923272D+01 -0.981973D+01  0.494825D+01 -0.580263D+01 -0.915466D+00
      4  -0.749532D+00 -0.548120D+01 -0.499022D+00  0.241201D+01  0.745844D+01
      5   0.731427D+01  0.111988D+02  0.637137D+01 -0.271155D+01 -0.351095D+01
      6  -0.455660D+01 -0.204875D+01 -0.536507D+01  0.296420D+01  0.907877D+01
                11            12            13            14            15 
      1   0.591722D+01  0.942414D+00  0.103957D+02 -0.868907D+00 -0.167103D+02
      2  -0.227341D+01  0.532192D+01 -0.660722D-01  0.917006D+01 -0.357531D+01
      3  -0.364382D+01 -0.626434D+01 -0.103296D+02 -0.830115D+01  0.202856D+02
      4   0.427656D+01  0.415728D+01  0.159325D+00  0.232218D+01 -0.166725D+01
      5  -0.199408D+01  0.536917D+01 -0.308000D+01 -0.247899D+01 -0.447062D+01
      6  -0.175335D+01  0.903773D+00 -0.296641D+00  0.399480D+01 -0.487621D+01
                16            17            18            19            20 
      1  -0.184308D+02 -0.857157D+01 -0.138388D+01  0.835524D+01 -0.365475D+01
      2   0.680411D+01 -0.402224D+01  0.427754D+00  0.151749D+02 -0.131168D+02
      3   0.116267D+02  0.125938D+02  0.956123D+00 -0.235302D+02  0.167716D+02
      4   0.778033D+01 -0.546792D+01  0.314193D+01  0.534851D+01 -0.366682D+01
      5   0.253677D+01 -0.248345D+00 -0.522615D+00 -0.119254D+02  0.374056D+01
      6   0.152064D-01  0.792495D+00  0.130223D+02  0.544064D+01 -0.105289D+01
                21            22            23            24            25 
      1  -0.111016D+02 -0.150192D+02 -0.761634D+01  0.179407D+02 -0.210056D+01
      2  -0.588354D+01 -0.870717D+01 -0.728287D+01  0.103292D+01 -0.742014D+01
      3   0.169851D+02  0.237264D+02  0.148992D+02 -0.189737D+02  0.952070D+01
      4   0.396039D+01 -0.306898D+01 -0.394937D+01 -0.244386D+01  0.189232D+01
      5  -0.259121D+02  0.690315D+01  0.340545D+01  0.134866D+02 -0.182366D+02
      6   0.122785D+02 -0.366346D+01 -0.521775D+01  0.807442D+01  0.942892D+01
                26            27            28            29            30 
      1   0.809333D+01  0.460932D+01 -0.612132D+01 -0.187639D+02  0.712238D+01
      2   0.123240D+01  0.155230D+02 -0.796244D+01  0.299831D+02  0.128816D+01
      3  -0.932573D+01 -0.201324D+02  0.140838D+02 -0.112191D+02 -0.841054D+01
      4  -0.205816D+01  0.460955D+01 -0.226539D+02 -0.149470D+02  0.152380D+02
      5   0.961962D+01  0.408833D+01  0.147425D+02  0.968539D+01 -0.372303D+01
      6   0.527296D+01 -0.559299D+01  0.185828D+02 -0.138699D+01 -0.625702D+01
                31            32            33            34            35 
      1  -0.123174D+02  0.195224D+02 -0.373876D+00  0.631158D+01  0.134226D+01
      2   0.212241D+02 -0.285258D+02  0.110077D+02  0.664846D+00  0.914506D+01
      3  -0.890672D+01  0.900339D+01 -0.106338D+02 -0.697642D+01 -0.104873D+02
      4  -0.491928D+01  0.148590D+02  0.246466D+01  0.131977D+02  0.418441D+01
      5   0.383931D+01 -0.416129D+01  0.178799D+00 -0.525199D+01  0.539935D+00
      6  -0.182831D+01  0.113787D+02  0.172359D+01 -0.414305D+01  0.286837D+01
                36            37            38            39            40 
      1  -0.927474D+01  0.738806D+00  0.498562D+01 -0.294321D+00  0.338044D+01
      2   0.742292D+01  0.201224D+01 -0.112667D+02 -0.416423D+01 -0.717850D+01
      3   0.185181D+01 -0.275104D+01  0.628106D+01  0.445855D+01  0.379806D+01
      4   0.323180D+01  0.128788D+01 -0.922845D+01 -0.141715D+02 -0.841662D+01
      5  -0.178634D+01 -0.655535D+01 -0.103269D+02 -0.118875D+02 -0.571793D+01
      6  -0.115187D+02 -0.157370D+02 -0.137207D+02 -0.477836D+01 -0.100907D+02
                41            42            43            44            45 
      1  -0.999513D+01  0.854979D-01 -0.365544D+01 -0.118254D+01  0.345120D+01
      2   0.135963D+02 -0.103741D+01  0.360853D+00 -0.110804D+01 -0.100313D+02
      3  -0.360112D+01  0.951911D+00  0.329459D+01  0.229058D+01  0.658012D+01
      4  -0.363318D+01 -0.646615D+01 -0.116160D+02 -0.651498D+01 -0.142576D+02
      5  -0.676519D+01 -0.900537D+01 -0.988299D+01 -0.115320D+02 -0.709076D+01
      6   0.477675D+00 -0.107463D+02 -0.790359D+01 -0.142256D+02  0.254345D+01
                46            47            48            49            50 
      1  -0.723990D+02 -0.942465D+01  0.464119D+01 -0.246130D+02  0.108830D+01
      2   0.341871D+02 -0.218232D+01 -0.448763D+01  0.115940D+02 -0.533765D+01
      3   0.382119D+02  0.116070D+02 -0.153564D+00  0.130190D+02  0.424936D+01
      4  -0.179635D+02 -0.145870D+02  0.252340D+01 -0.129968D+01 -0.611651D+01
      5   0.783283D+01  0.521571D+01 -0.139078D+02  0.395854D+01  0.635780D+00
      6   0.487580D+00  0.225915D+01 -0.708919D+01  0.430011D+01 -0.577150D+01
                51            52            53            54            55 
      1   0.158916D+02  0.107728D+01  0.126279D+02 -0.120792D+01  0.331473D+01
      2  -0.413048D+00  0.234452D+01 -0.692479D+01 -0.151971D+01 -0.892573D+01
      3  -0.154785D+02 -0.342180D+01 -0.570311D+01  0.272764D+01  0.561100D+01
      4   0.230620D+01 -0.941966D+00  0.529577D+01 -0.366270D+01  0.285524D+01
      5  -0.658048D+01  0.377713D+01 -0.133471D+01  0.410458D+00 -0.263458D+01
      6  -0.402451D+01 -0.301559D+00  0.348959D-01 -0.817297D+01  0.509239D+01
                56            57            58            59            60 
      1  -0.942062D+01 -0.853951D+01  0.213448D+01 -0.151825D+01 -0.104482D+02
      2   0.213840D+02  0.231155D+01  0.114920D+02 -0.154627D+02 -0.879556D+00
      3  -0.119634D+02  0.622795D+01 -0.136265D+02  0.169810D+02  0.113277D+02
      4  -0.169755D+02  0.473043D+00 -0.107443D+02  0.233152D+02 -0.120203D+01
      5  -0.208021D+01  0.830858D-01 -0.271105D+00  0.424334D+01 -0.472588D-01
      6   0.119355D+02  0.434998D+01  0.487408D+01  0.609101D+00  0.107435D+02
                61            62            63            64            65 
      1   0.354335D+01 -0.272142D+01  0.142956D+02  0.767707D+01 -0.666475D+01
      2  -0.696169D+01  0.972600D+01  0.194196D+02  0.490406D+01  0.277763D+01
      3   0.341833D+01 -0.700458D+01 -0.337152D+02 -0.125811D+02  0.388713D+01
      4   0.450041D+01 -0.398372D+01  0.809168D+01 -0.579225D+01 -0.126393D+02
      5   0.120794D+01  0.133306D+01  0.177681D+02 -0.107971D+02 -0.106320D+02
      6   0.144335D+01  0.631141D+01 -0.120931D+02 -0.273242D+02  0.924041D+01
                66            67            68            69            70 
      1  -0.118719D+02 -0.665002D+01 -0.108085D+01 -0.300153D+01 -0.994266D+01
      2   0.147688D+02  0.128951D+01 -0.811081D+01  0.222232D+02  0.137034D+02
      3  -0.289690D+01  0.536051D+01  0.919166D+01 -0.192217D+02 -0.376076D+01
      4  -0.245837D+02 -0.909855D+01  0.127552D+01  0.111170D+02 -0.218479D+02
      5  -0.231920D+02 -0.583626D+01  0.876472D+01  0.271350D+00 -0.201729D+02
      6  -0.139185D+01  0.899800D+01  0.170812D+02 -0.868794D+01 -0.124697D+01
                71            72            73            74            75 
      1  -0.713205D+01  0.444256D+01  0.131888D+03  0.178129D+02 -0.509327D+01
      2   0.271414D+02 -0.976283D+01 -0.635229D+02 -0.457220D+01  0.343228D+01
      3  -0.200094D+02  0.532027D+01 -0.683648D+02 -0.132407D+02  0.166100D+01
      4   0.122031D+02 -0.656206D+01  0.232652D+02  0.290790D+02 -0.203575D+01
      5  -0.137380D+01 -0.238034D+01 -0.105713D+02 -0.304970D+01  0.262217D+02
      6  -0.135743D+02 -0.866552D+01 -0.604795D+01 -0.419160D+01  0.453002D+01
                76            77            78            79            80 
      1   0.219635D+02  0.161273D+02 -0.431596D+01  0.308331D+01 -0.290269D+01
      2  -0.935784D+01 -0.436165D+00  0.193683D+01  0.165968D+01  0.131176D+01
      3  -0.126057D+02 -0.156911D+02  0.237914D+01 -0.474299D+01  0.159093D+01
      4   0.307188D+02  0.167854D+02 -0.359136D+01 -0.398870D+01 -0.270559D+01
      5  -0.627316D+01 -0.434689D+01  0.724257D+01  0.259079D+02  0.603300D+01
      6  -0.438961D+01 -0.282387D+01  0.719684D+01  0.311332D+01  0.603429D+01
                81            82            83            84            85 
      1   0.121858D+02 -0.685044D+01 -0.150005D+02 -0.313404D+02 -0.215681D+02
      2  -0.124803D+02  0.654780D+01  0.113439D+02  0.165283D+02  0.184184D+02
      3   0.294540D+00  0.302639D+00  0.365659D+01  0.148120D+02  0.314966D+01
      4   0.504600D+01 -0.128956D+02 -0.864432D+01  0.112992D+01 -0.142300D+02
      5  -0.550177D+01 -0.313999D+02 -0.179445D+01 -0.142600D+02 -0.536521D+01
      6  -0.822836D+00  0.528212D+01  0.125223D+01  0.112657D+01  0.203499D+01
                86            87            88            89            90 
      1  -0.194742D+01 -0.102826D+01 -0.375649D+02 -0.134515D+01 -0.177399D+02
      2  -0.125585D+02 -0.345276D+01  0.190978D+02 -0.355710D+01  0.146035D+02
      3   0.145059D+02  0.448102D+01  0.184671D+02  0.490225D+01  0.313643D+01
      4   0.355682D+02  0.958311D+01 -0.160094D+01  0.917050D+01 -0.131342D+02
      5   0.952213D+01 -0.165593D+02 -0.204447D+02 -0.153282D+02  0.129866D+02
      6  -0.704727D+01  0.156050D+01  0.103836D+01  0.192035D+01 -0.121357D+01
                91            92            93            94            95 
      1   0.140431D+02 -0.295785D+01 -0.121723D+02 -0.491882D+01  0.515751D+01
      2   0.148432D+02  0.111530D+02  0.172278D+02  0.144999D+02 -0.316301D+02
      3  -0.288863D+02 -0.819518D+01 -0.505547D+01 -0.958109D+01  0.264726D+02
      4  -0.771398D+01 -0.276640D+01  0.870045D+01 -0.372858D+01  0.198424D+02
      5  -0.445581D+01 -0.335264D+01 -0.296619D+02 -0.650374D+01 -0.398541D+01
      6   0.645259D+01 -0.336679D+01 -0.456732D+01 -0.547703D+01  0.164864D+02
                96            97            98            99           100 
      1   0.634462D+01 -0.110952D+02  0.780580D+01 -0.112425D+02 -0.218201D+01
      2   0.944443D+01  0.173170D+02  0.120543D+01  0.178427D+02 -0.117136D+02
      3  -0.157891D+02 -0.622182D+01 -0.901123D+01 -0.660024D+01  0.138956D+02
      4   0.220584D+01  0.781657D+01  0.515910D+01 -0.354201D+01 -0.159985D+01
      5  -0.125790D+02 -0.277405D+02 -0.928240D+01 -0.119750D+02 -0.131617D+02
      6   0.983046D+01 -0.203555D+01  0.114775D+02 -0.115770D+02 -0.231747D-02
               101           102           103           104           105 
      1  -0.183011D+00  0.924308D+01  0.383700D+01 -0.354028D+01 -0.103550D+02
      2   0.507899D+01  0.144488D+02  0.443065D+01 -0.192981D+01 -0.816243D+01
      3  -0.489598D+01 -0.236919D+02 -0.826766D+01  0.547009D+01  0.185174D+02
      4   0.278816D+01 -0.115044D+00  0.211378D+01 -0.135641D+01 -0.134856D+01
      5   0.288460D+01  0.184701D+02  0.354964D+01 -0.470168D+01 -0.579672D+01
      6  -0.567523D+01 -0.154456D+01 -0.304417D+01  0.667313D+01  0.712400D+01
               106           107           108           109           110 
      1   0.554110D+01 -0.324563D+01 -0.212734D+02  0.482128D+01  0.255318D+01
      2   0.985173D+01 -0.453575D+01 -0.269514D+02 -0.151692D+02  0.108666D+01
      3  -0.153928D+02  0.778138D+01  0.482248D+02  0.103479D+02 -0.363985D+01
      4  -0.221187D+00 -0.170074D+01 -0.160721D+01 -0.114487D+02  0.701650D+01
      5   0.147943D+02 -0.436047D+01 -0.174559D+02  0.282097D+02 -0.596310D+01
      6  -0.146471D+01  0.692666D+01  0.196047D+01 -0.912566D+01  0.922389D+01
               111           112           113           114           115 
      1  -0.322798D+01  0.171227D+01 -0.186414D+01  0.239553D+01 -0.214664D+01
      2  -0.126687D+02  0.153588D+01  0.200579D+01  0.395625D+00 -0.757809D+01
      3   0.158967D+02 -0.324815D+01 -0.141649D+00 -0.279115D+01  0.972473D+01
      4  -0.844102D+01  0.717638D+01 -0.306652D+01  0.422326D+01 -0.518680D+01
      5   0.247712D+02 -0.563084D+01  0.508358D+01 -0.586776D+01  0.165517D+02
      6  -0.111236D+02  0.655003D+01 -0.654168D+01  0.839627D+01 -0.721752D+01
               116           117           118           119           120 
      1   0.186405D+01 -0.829610D+01 -0.354619D+01  0.146436D+02 -0.450204D+01
      2   0.379861D-01 -0.144219D+02  0.108737D+02 -0.263537D+02  0.297852D+01
      3  -0.190203D+01  0.227180D+02 -0.732748D+01  0.117101D+02  0.152352D+01
      4   0.262467D+01 -0.612917D+01 -0.711286D+01  0.140887D+02 -0.369818D+01
      5  -0.486180D+01  0.164304D+02  0.152146D+01 -0.456165D+01  0.278798D+01
      6   0.604030D+01 -0.923655D+01 -0.658909D+01  0.102017D+02 -0.616051D+01
               121           122           123           124           125 
      1   0.865150D+01 -0.368511D+02  0.718694D+01 -0.161051D+01  0.434576D+01
      2  -0.143209D+02  0.667111D+02 -0.934287D+01  0.260548D-01 -0.408756D+01
      3   0.566936D+01 -0.298600D+02  0.215593D+01  0.158446D+01 -0.258198D+00
      4   0.114405D+02 -0.100347D+02  0.669218D+00 -0.214606D+01  0.323283D+00
      5  -0.385288D+01  0.302347D+01 -0.825936D+00  0.255077D+01 -0.749912D+00
      6   0.440729D+01 -0.243735D+02  0.131946D+02 -0.297326D+01  0.118154D+02
               126           127           128           129           130 
      1  -0.583801D+01  0.224196D+02  0.313922D+01 -0.208703D+01  0.194873D+01
      2   0.573662D+01 -0.382892D+01  0.627388D+01  0.957356D+00  0.339663D+01
      3   0.101391D+00 -0.185907D+02 -0.941309D+01  0.112968D+01 -0.534536D+01
      4  -0.281848D+01  0.375392D+02  0.231932D+02 -0.132620D+02  0.146130D+02
      5   0.129568D+01 -0.227504D+02 -0.102523D+02  0.128506D+02 -0.519500D+01
      6  -0.362690D+01 -0.166798D+02 -0.115099D+02  0.130857D+02 -0.645268D+01
               131           132           133           134           135 
      1  -0.132502D+01  0.822255D+00 -0.277540D+01  0.978779D+00  0.118343D+01
      2   0.969813D+01 -0.358328D+01  0.240201D+01 -0.317388D+01 -0.408668D+01
      3  -0.837311D+01  0.276103D+01  0.373391D+00  0.219510D+01  0.290325D+01
      4   0.104596D+02 -0.532465D+01 -0.108607D+02 -0.672686D+01  0.844191D+01
      5  -0.496972D+01  0.337198D+01  0.127449D+02  0.520209D+01 -0.858470D+01
      6  -0.865177D+01  0.529379D+01  0.100067D+02  0.779432D+01 -0.811537D+01
               136           137           138           139           140 
      1  -0.144403D+01  0.151473D+01  0.226743D+00  0.253002D+01 -0.381501D+01
      2  -0.458484D+01 -0.164507D+01  0.518019D+01 -0.347148D+01  0.115247D+01
      3   0.602888D+01  0.130338D+00 -0.540693D+01  0.941457D+00  0.266254D+01
      4  -0.115495D+01  0.521791D+01  0.427957D+01  0.150313D+01 -0.298175D+01
      5  -0.553054D+01  0.144496D+01  0.122715D+02 -0.256567D+01 -0.258966D+01
      6   0.241553D+01 -0.284624D+01 -0.325397D+01 -0.134115D+01  0.196552D+01
               141           142           143           144           145 
      1   0.224504D+00 -0.185506D+01 -0.629252D+01 -0.291667D+02  0.713604D+01
      2   0.708743D+01  0.630213D+01  0.118502D+01 -0.271556D+02  0.674269D+01
      3  -0.731194D+01 -0.444706D+01  0.510750D+01  0.563224D+02 -0.138787D+02
      4  -0.148010D+01  0.450061D+01 -0.363259D+01 -0.850238D+01 -0.200805D+02
      5   0.402874D+01  0.111953D+02 -0.353894D+01 -0.252800D+02 -0.458060D+01
      6   0.524818D+01 -0.434544D+01  0.103463D+02  0.253431D+02  0.432257D+01
               146           147           148           149           150 
      1   0.959914D+00  0.220592D+01 -0.487367D+00 -0.154873D+02 -0.195528D+01
      2  -0.143858D+02 -0.173386D+01 -0.124454D+02  0.420411D+02  0.143111D+01
      3   0.134258D+02 -0.472060D+00  0.129328D+02 -0.265538D+02  0.524165D+00
      4   0.260619D+02  0.377505D+01  0.214580D+02 -0.348780D+02 -0.315738D+01
      5   0.683685D+01  0.487669D+01  0.524863D+01 -0.516678D+01 -0.390353D+01
      6  -0.826849D+01 -0.504792D+01 -0.675497D+01  0.142928D+02  0.783224D+01
               151           152           153           154           155 
      1   0.300599D+01 -0.332150D+00 -0.451895D+01  0.704395D+01 -0.936827D+00
      2   0.980793D+00 -0.690051D+01  0.196364D+01 -0.791393D+00  0.696631D+01
      3  -0.398679D+01  0.723266D+01  0.255531D+01 -0.625256D+01 -0.602948D+01
      4  -0.458764D+01  0.532591D+01 -0.493551D+01  0.198630D+02  0.184138D+02
      5   0.138148D+01 -0.296911D+01 -0.160577D+01  0.173634D+02  0.103959D+02
      6  -0.247384D+01  0.537775D+01  0.249009D+01  0.136386D+02  0.117590D+02
               156           157           158           159           160 
      1   0.118464D+01 -0.181289D+01 -0.651352D+01 -0.446426D+01  0.947062D+00
      2  -0.146483D+01  0.656286D+01  0.135202D+02  0.534001D+01 -0.189406D+01
      3   0.280186D+00 -0.474997D+01 -0.700664D+01 -0.875750D+00  0.946993D+00
      4   0.132947D+02  0.151052D+02  0.155390D+02  0.958212D+01  0.122266D+02
      5   0.151135D+02  0.743912D+01  0.928051D+01  0.728187D+01  0.148519D+02
      6   0.120894D+02  0.958547D+01  0.143119D+02  0.151763D+02  0.117826D+02
               161           162           163           164           165 
      1  -0.531628D+01 -0.689441D+01  0.110594D+02 -0.253812D+01  0.168344D+01
      2   0.460733D+01 -0.355174D+00 -0.118117D+02  0.612878D+01 -0.101691D+02
      3   0.708950D+00  0.724959D+01  0.752301D+00 -0.359066D+01  0.848565D+01
      4   0.108807D+02  0.130639D+02  0.245161D+02  0.145112D+02  0.172742D+02
      5   0.969811D+01  0.163638D+02  0.257993D+02  0.877688D+01  0.224760D+02
      6   0.175832D+02  0.198934D+02  0.173364D+02  0.105063D+02  0.161629D+02
               166           167           168           169           170 
      1  -0.946439D+00 -0.595480D+00 -0.113570D+01  0.294910D+01 -0.274101D+01
      2   0.367525D+01  0.244433D+01  0.138662D+01 -0.961833D+01  0.161014D+00
      3  -0.272882D+01 -0.184885D+01 -0.250921D+00  0.666922D+01  0.258000D+01
      4   0.753220D+01  0.543749D+01  0.342102D+01  0.155873D+02  0.599516D+01
      5   0.257619D+01  0.405744D+01  0.156495D+01  0.196454D+02  0.553440D+01
      6   0.445941D+01  0.284283D+01  0.635647D+01  0.121428D+02  0.121487D+02
               171           172           173           174           175 
      1  -0.480257D+01 -0.722815D+00 -0.950961D-01  0.707081D+00 -0.309129D+00
      2  -0.822132D+01  0.362668D+01  0.565753D+01 -0.360512D+01  0.547254D+01
      3   0.130239D+02 -0.290386D+01 -0.556244D+01  0.289804D+01 -0.516341D+01
      4   0.122494D+02  0.514735D+01  0.102540D+02 -0.163274D+01  0.971069D+01
      5   0.184587D+02  0.512715D+00  0.527624D+00  0.480087D+01  0.535207D+00
      6   0.176446D+02  0.592270D+00 -0.200301D+01  0.214074D+01 -0.206471D+01
               176           177           178           179           180 
      1  -0.166844D+02  0.561260D+01  0.264064D+00  0.111780D+02 -0.468937D+01
      2   0.426439D+02 -0.176203D+02 -0.456201D+01 -0.290293D+02  0.127282D+02
      3  -0.259595D+02  0.120077D+02  0.429795D+01  0.178513D+02 -0.803882D+01
      4   0.113771D+02 -0.535124D+01 -0.558819D+01 -0.947981D+01  0.465900D+01
      5  -0.304696D+01  0.218213D+01  0.312509D+01  0.272592D+01 -0.350766D+01
      6  -0.835425D+01  0.120459D+02  0.153191D+01  0.104621D+02 -0.155932D+02
               181           182           183           184           185 
      1  -0.368194D+01  0.113819D+02  0.109751D+02  0.606296D+01 -0.953201D+01
      2   0.389957D+00 -0.126492D+02 -0.240673D+01 -0.654867D+01  0.120416D+02
      3   0.329198D+01  0.126729D+01 -0.856840D+01  0.485703D+00 -0.250956D+01
      4  -0.182118D+02  0.110055D+02  0.123717D+02  0.859804D+01 -0.844358D+01
      5  -0.124429D+02  0.667389D+01  0.110272D+02  0.407935D+01 -0.582521D+01
      6   0.144844D+02 -0.156038D+02 -0.162381D+02 -0.890015D+01  0.104309D+02
               186           187           188           189           190 
      1  -0.689901D+01  0.759876D+01 -0.969682D+01 -0.135960D+02  0.676957D+01
      2   0.366654D+01 -0.205881D+01  0.485525D+01  0.968015D+00 -0.617791D+01
      3   0.323247D+01 -0.553995D+01  0.484157D+01  0.126280D+02 -0.591660D+00
      4  -0.658898D+01  0.118192D+02 -0.704610D+01 -0.753243D+01  0.425188D+01
      5  -0.345789D+01  0.107503D+02 -0.363268D+01 -0.725410D+01 -0.599089D+01
      6   0.122308D+02 -0.101416D+02  0.166499D+02  0.201013D+02 -0.121556D+01
               191           192           193           194           195 
      1   0.516030D+01 -0.428978D+01  0.113356D+02 -0.271753D+00 -0.149766D+01
      2  -0.345985D+01  0.518454D+01 -0.742035D+01  0.119976D+01  0.375496D+01
      3  -0.170044D+01 -0.894760D+00 -0.391521D+01 -0.928006D+00 -0.225730D+01
      4   0.350645D+01 -0.248351D+01  0.411576D+01  0.424495D+01 -0.748089D+01
      5  -0.353142D+01  0.128626D+02 -0.496601D+01 -0.734487D+01  0.121985D+02
      6  -0.695065D+00 -0.878246D-01 -0.226449D+00 -0.227693D+01  0.244856D+01
               196           197           198           199           200 
      1  -0.119218D+02  0.912912D-01  0.521606D+01  0.697459D+01 -0.562236D+01
      2   0.904410D+01  0.307859D+01 -0.154392D+02  0.901030D-01 -0.453775D+00
      3   0.287773D+01 -0.316988D+01  0.102232D+02 -0.706469D+01  0.607613D+01
      4  -0.110054D+01 -0.100409D+02  0.843543D+01 -0.870139D+01  0.142855D+02
      5   0.180537D+02  0.971206D+01 -0.322030D+02  0.706303D+00  0.322035D+01
      6  -0.135970D+01  0.397839D+01  0.982565D+00  0.156133D+01 -0.151327D+01
               201           202           203           204           205 
      1   0.136784D+01 -0.122361D+02 -0.381679D+01  0.335000D+00  0.181430D+01
      2  -0.104928D+01 -0.156085D+01  0.259213D+02  0.207315D+01 -0.136839D+01
      3  -0.318563D+00  0.137969D+02 -0.221046D+02 -0.240815D+01 -0.445907D+00
      4   0.280134D+01  0.247079D+02 -0.476510D+02 -0.736459D+01  0.344522D+01
      5   0.404677D+01  0.475581D+01 -0.655083D+01 -0.719350D+01  0.654287D+01
      6  -0.107165D+01 -0.276090D+01  0.878785D+01  0.801071D+01 -0.232709D+01
               206           207           208           209           210 
      1  -0.264496D+00  0.863322D+00  0.595067D+02  0.848909D+01  0.203457D+02
      2   0.227029D+01  0.489605D+00 -0.324618D+02 -0.515473D+01 -0.121754D+02
      3  -0.200579D+01 -0.135293D+01 -0.270449D+02 -0.333436D+01 -0.817036D+01
      4  -0.647664D+01 -0.454981D+01  0.427340D+01  0.101132D+02  0.165790D+01
      5  -0.479379D+01 -0.446802D+01  0.236131D+02  0.319380D+01  0.177371D+02
      6   0.703875D+01  0.285110D+01 -0.216153D+01  0.686951D+00 -0.147967D+01
               211           212           213           214           215 
      1   0.180134D+02  0.713720D+01  0.465814D+01  0.355017D+02  0.327560D+01
      2  -0.104464D+02 -0.168769D+01 -0.255405D+01 -0.205082D+02 -0.194166D+01
      3  -0.756698D+01 -0.544951D+01 -0.210409D+01 -0.149935D+02 -0.133394D+01
      4   0.121129D+02  0.268522D+01  0.374343D+01  0.137394D+01  0.689086D+01
      5   0.693047D+01  0.372714D+01  0.771796D+01  0.238819D+02  0.473706D+01
      6   0.105873D+01  0.189855D+01  0.186527D+01 -0.142783D+01  0.206647D+01
               216           217           218           219           220 
      1   0.148964D+02 -0.661656D+01 -0.490336D+01  0.142476D+02 -0.104766D+01
      2  -0.130247D+02 -0.573362D+01  0.159223D+01  0.446140D+01 -0.578240D+00
      3  -0.187175D+01  0.123502D+02  0.331113D+01 -0.187090D+02  0.162590D+01
      4   0.356104D+01  0.122085D+02  0.289034D+01 -0.628853D+01  0.288704D+01
      5   0.190130D+02 -0.205698D+02  0.366838D-01  0.125179D+02  0.651727D+00
      6  -0.129829D+01 -0.452448D+01 -0.852987D+01  0.104351D+02 -0.414205D+01
               221           222           223           224           225 
      1  -0.275776D+01  0.666017D+00  0.903417D+01  0.155874D+01 -0.107346D+02
      2   0.411368D+01 -0.265319D+01  0.265188D+01 -0.106801D+01 -0.907884D+01
      3  -0.135593D+01  0.198717D+01 -0.116860D+02 -0.490733D+00  0.198134D+02
      4  -0.326407D+00 -0.121823D+01 -0.571633D+01 -0.189306D+01  0.474754D+01
      5  -0.279066D+01  0.296048D+01  0.132701D+02  0.191565D+01 -0.743158D+01
      6  -0.261287D+01  0.271231D+01  0.514707D+01  0.406905D+01 -0.630941D+01
               226           227           228           229           230 
      1   0.103494D+02  0.249247D+01  0.183641D+01  0.390676D+01 -0.413048D+00
      2  -0.208757D+02 -0.466322D+01 -0.211361D+02 -0.811419D+01 -0.381975D+00
      3   0.105264D+02  0.217075D+01  0.192997D+02  0.420743D+01  0.795023D+00
      4  -0.450066D+01  0.502553D+01 -0.524763D+01  0.284739D+01  0.317741D+00
      5   0.283016D+02  0.179671D+01  0.301967D+02  0.905058D+01  0.585365D+01
      6  -0.224013D+01  0.689684D+01 -0.389495D+01  0.453407D+01  0.217867D+01
               231           232           233           234           235 
      1  -0.191436D+01  0.264474D+01 -0.506160D-01 -0.734229D+01 -0.206982D+00
      2  -0.966898D+01 -0.176168D+02 -0.362342D+01 -0.283722D+02  0.226786D+01
      3   0.115833D+02  0.149721D+02  0.367403D+01  0.357145D+02 -0.206088D+01
      4   0.227812D+01 -0.455460D+01  0.257362D+01 -0.294920D+01 -0.561043D+01
      5   0.101608D+02  0.255011D+02  0.281482D+01  0.313208D+02  0.282749D+01
      6   0.430297D+01 -0.219345D+01  0.588493D+01 -0.448901D+01 -0.372208D+01
               236           237           238           239           240 
      1  -0.767030D+00  0.893236D-02 -0.564389D+00 -0.218026D+02  0.563249D+01
      2  -0.556106D+01 -0.190359D+01 -0.650753D+01  0.483301D+02 -0.107476D+01
      3   0.632809D+01  0.189466D+01  0.707192D+01 -0.265275D+02 -0.455773D+01
      4   0.110368D+02 -0.169372D+01  0.127218D+02 -0.246948D+02  0.315117D+01
      5  -0.377138D+01  0.568582D+01 -0.529571D+01  0.664266D+01 -0.367371D+01
      6   0.542526D+01 -0.141062D+01  0.634103D+01 -0.314855D+02  0.119006D+02
               241           242           243 
      1  -0.616046D+00  0.432475D+00 -0.123017D+01
      2  -0.212611D+01  0.471106D+01  0.222526D+01
      3   0.274215D+01 -0.514354D+01 -0.995090D+00
      4   0.129851D+01 -0.240093D+01 -0.150843D+01
      5   0.318205D+01 -0.469636D+00  0.933764D+00
      6  -0.284888D+00  0.437368D+01  0.368434D+00
 Leave Link  716 at Wed Mar 16 20:36:31 2022, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.140922D+03  0.176139D+01 -0.689588D+00
      2   0.176139D+01  0.134103D+03  0.183965D+01
      3  -0.689588D+00  0.183965D+01  0.130377D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.114321D+00 -0.522955D+01  0.258405D+01
      2   0.259270D+01 -0.485981D+01  0.237134D+02
      3   0.564823D+01 -0.194028D+02  0.570849D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.224154D+02 -0.159491D+02  0.132383D+02
      2  -0.154965D+02  0.636135D+01 -0.782786D+01
      3  -0.691883D+01  0.958773D+01 -0.541048D+01
      4  -0.190572D+02  0.368613D+02 -0.168743D+02
      5   0.951108D+01 -0.169140D+02  0.479201D+02
      6  -0.880516D+01 -0.138362D+02 -0.365026D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.275223D+01  0.210463D+01  0.767380D+01  0.150461D+01  0.339000D+01
      2   0.210463D+01  0.397541D+01  0.559350D+00  0.339000D+01 -0.822594D+01
      3   0.767380D+01  0.559350D+00  0.390135D+01  0.211848D-01 -0.219144D+01
                 6             7             8             9            10 
      1   0.211848D-01  0.955841D+01  0.765783D+00  0.277412D+01 -0.677196D+01
      2  -0.219144D+01  0.765783D+00 -0.208520D+01  0.546917D+01 -0.274959D+01
      3   0.416525D+01  0.277412D+01  0.546917D+01 -0.140884D+01 -0.569098D+01
                11            12            13            14            15 
      1  -0.274959D+01 -0.569098D+01 -0.370208D+01  0.901119D+00  0.304499D+01
      2   0.106057D+01  0.268524D+01  0.901119D+00  0.843462D+00  0.409298D+01
      3   0.268524D+01 -0.103723D+01  0.304499D+01  0.409298D+01 -0.545343D+01
                16            17            18            19            20 
      1  -0.581638D+01  0.284059D+01 -0.310976D+01  0.328525D+01 -0.552928D+00
      2   0.284059D+01  0.310379D+01 -0.378547D+01 -0.552928D+00 -0.187978D+01
      3  -0.310976D+01 -0.378547D+01 -0.203562D+01  0.596962D+01 -0.358672D+01
                21            22            23            24            25 
      1   0.596962D+01  0.110909D+01 -0.292324D+00 -0.546802D+01  0.390670D+01
      2  -0.358672D+01 -0.292324D+00  0.671426D+00 -0.324282D+01 -0.324443D+01
      3  -0.118025D+01 -0.546802D+01 -0.324282D+01  0.340970D+01 -0.305059D+00
                26            27            28            29            30 
      1  -0.324443D+01 -0.305059D+00 -0.531029D+01 -0.335355D+01  0.330486D+01
      2  -0.434754D+01  0.207852D+01 -0.335355D+01  0.516869D+01  0.127659D+01
      3   0.207852D+01  0.370365D+01  0.330486D+01  0.127659D+01 -0.350909D+00
                31            32            33            34            35 
      1  -0.132336D+01  0.413441D+01  0.140965D+01  0.266463D+01  0.135595D+01
      2   0.413441D+01 -0.484712D+01  0.273793D+01  0.135595D+01  0.215820D+01
      3   0.140965D+01  0.273793D+01  0.255326D+01 -0.144554D+00  0.196408D+01
                36            37            38            39            40 
      1  -0.144554D+00  0.129790D+01 -0.171306D+01 -0.565482D+01  0.161841D+00
      2   0.196408D+01 -0.171306D+01 -0.438141D+01 -0.223432D+01 -0.601759D+01
      3  -0.351727D+01 -0.565482D+01 -0.223432D+01 -0.236944D+01 -0.254846D+01
                41            42            43            44            45 
      1  -0.601759D+01 -0.254846D+01 -0.455602D+01 -0.229308D+01 -0.256783D+01
      2   0.654208D+01 -0.213402D+01 -0.229308D+01 -0.244216D+00 -0.487605D+01
      3  -0.213402D+01 -0.365083D+01 -0.256783D+01 -0.487605D+01  0.256572D+01
                46            47            48            49            50 
      1   0.116062D+02  0.436324D+01  0.711543D-02  0.408877D+01 -0.123120D+01
      2   0.436324D+01 -0.445615D+01 -0.414123D+01 -0.123120D+01 -0.853656D+00
      3   0.711543D-02 -0.414123D+01 -0.214378D+01 -0.258333D+01 -0.122992D+01
                51            52            53            54            55 
      1  -0.258333D+01  0.122737D+00 -0.180794D+01  0.591395D+00 -0.201745D+01
      2  -0.122992D+01 -0.180794D+01 -0.744469D+00  0.691963D+00 -0.153884D+01
      3   0.380790D+00  0.591395D+00  0.691963D+00  0.225870D+01  0.179676D+01
                56            57            58            59            60 
      1  -0.153884D+01  0.179676D+01 -0.215958D+01  0.496418D+01  0.145798D+01
      2   0.636527D+01  0.182216D+01  0.496418D+01 -0.438566D+01  0.167404D+01
      3   0.182216D+01  0.186592D+01  0.145798D+01  0.167404D+01  0.255682D+01
                61            62            63            64            65 
      1   0.422351D+00 -0.651688D+00  0.147881D+01  0.184132D+01  0.288790D+01
      2  -0.651688D+00  0.217040D+01  0.765861D+00  0.288790D+01 -0.200661D+00
      3   0.147881D+01  0.765861D+00 -0.786225D+01  0.660598D+01 -0.165935D+01
                66            67            68            69            70 
      1   0.660598D+01  0.205993D+01 -0.873324D+00 -0.181418D+01  0.556023D+01
      2  -0.165935D+01 -0.873324D+00  0.107854D+00 -0.403996D+01 -0.193555D+01
      3   0.146662D+01 -0.181418D+01 -0.403996D+01  0.344411D+01  0.143366D+01
                71            72            73            74            75 
      1  -0.193555D+01  0.143366D+01 -0.210521D+02 -0.417148D+01  0.157183D+01
      2  -0.412255D+01  0.427686D+01 -0.417148D+01 -0.149196D+01  0.138094D+01
      3   0.427686D+01  0.111773D+01  0.157183D+01  0.138094D+01 -0.148817D+01
                76            77            78            79            80 
      1  -0.471143D+01 -0.444291D+01  0.840948D+00  0.459634D+00  0.267622D+00
      2  -0.444291D+01 -0.275940D+01  0.904402D+00  0.267622D+00  0.205637D+00
      3   0.840948D+00  0.904402D+00 -0.529563D+00 -0.387819D+01 -0.114772D+01
                81            82            83            84            85 
      1  -0.387819D+01 -0.180146D+01 -0.239846D+01 -0.583632D+01 -0.318265D+01
      2  -0.114772D+01 -0.239846D+01 -0.207843D+01 -0.479540D+00 -0.325964D+01
      3  -0.105345D+00 -0.583632D+01 -0.479540D+00 -0.254782D+01 -0.586898D+00
                86            87            88            89            90 
      1  -0.325964D+01 -0.586898D+00 -0.696129D+01 -0.586566D+00 -0.337757D+01
      2   0.776137D+01  0.248359D+01 -0.586566D+00  0.231602D+01 -0.379388D+01
      3   0.248359D+01 -0.395016D+01 -0.337757D+01 -0.379388D+01  0.345647D+01
                91            92            93            94            95 
      1   0.259030D+01 -0.767783D+00 -0.685015D+01 -0.123786D+01 -0.252860D+01
      2  -0.767783D+00 -0.222594D+01 -0.960974D+00 -0.252860D+01  0.792380D+01
      3  -0.685015D+01 -0.960974D+00 -0.227547D+01 -0.119963D+01  0.150945D+01
                96            97            98            99           100 
      1  -0.119963D+01 -0.624750D+01 -0.121215D+01 -0.231585D+01  0.313455D+01
      2   0.150945D+01 -0.121215D+01  0.263716D+01 -0.368300D+01 -0.484210D+00
      3  -0.435011D+01 -0.231585D+01 -0.368300D+01 -0.746457D+00 -0.314765D+01
               101           102           103           104           105 
      1  -0.484210D+00 -0.314765D+01 -0.139941D+01  0.886332D+00  0.191163D+01
      2   0.155792D+01  0.994722D+00  0.886332D+00 -0.146131D+01 -0.118463D+01
      3   0.994722D+00  0.437174D+01  0.191163D+01 -0.118463D+01 -0.348558D+01
               106           107           108           109           110 
      1  -0.245468D+01  0.681327D+00  0.286058D+01 -0.595319D+01  0.128349D+01
      2   0.681327D+00 -0.106936D+01 -0.140689D+01  0.128349D+01 -0.174797D+01
      3   0.286058D+01 -0.140689D+01 -0.827515D+01 -0.458822D+01  0.166725D+01
               111           112           113           114           115 
      1  -0.458822D+01  0.107289D+01 -0.116522D+01  0.115890D+01 -0.261867D+01
      2   0.166725D+01 -0.116522D+01  0.121185D+01 -0.106673D+01  0.997732D+00
      3  -0.470463D+01  0.115890D+01 -0.106673D+01  0.101645D+01 -0.262991D+01
               116           117           118           119           120 
      1   0.997732D+00 -0.262991D+01 -0.127635D+01  0.263426D+01 -0.836325D+00
      2  -0.687615D+00  0.847001D+00  0.263426D+01 -0.495041D+01  0.861524D+00
      3   0.847001D+00 -0.481725D+01 -0.836325D+00  0.861524D+00 -0.109284D+01
               121           122           123           124           125 
      1   0.191485D+01 -0.253561D+01  0.325881D+00 -0.451868D+00 -0.104003D-01
      2  -0.253561D+01  0.111002D+02 -0.214053D+01 -0.104003D-01 -0.102748D+01
      3   0.325881D+00 -0.214053D+01  0.155946D+01 -0.504940D+00  0.125467D+01
               126           127           128           129           130 
      1  -0.504940D+00  0.864028D+01  0.352498D+01 -0.284741D+01  0.189472D+01
      2   0.125467D+01  0.352498D+01  0.298758D+01 -0.151012D+01  0.171950D+01
      3  -0.384339D+00 -0.284741D+01 -0.151012D+01  0.257569D+01 -0.891833D+00
               131           132           133           134           135 
      1   0.171950D+01 -0.891833D+00 -0.247038D+01 -0.115067D+01  0.196748D+01
      2   0.231521D+01 -0.105877D+01 -0.115067D+01 -0.130344D+01  0.815584D+00
      3  -0.105877D+01  0.468683D+00  0.196748D+01  0.815584D+00 -0.161385D+01
               136           137           138           139           140 
      1  -0.679103D-01  0.183851D+00  0.152080D+01 -0.413334D+00 -0.526192D+00
      2   0.183851D+00 -0.849892D+00 -0.525298D+00 -0.526192D+00  0.406864D+00
      3   0.152080D+01 -0.525298D+00 -0.170635D+01  0.214568D+00  0.103549D+01
               141           142           143           144           145 
      1   0.214568D+00  0.211309D+01 -0.136371D+00 -0.176549D+01 -0.348430D+01
      2   0.103549D+01 -0.136371D+00  0.179317D+01  0.123114D+01  0.339595D+01
      3  -0.126772D+01 -0.176549D+01  0.123114D+01  0.118596D+02  0.227474D+00
               146           147           148           149           150 
      1   0.339595D+01  0.227474D+00  0.361997D+01 -0.390485D+01 -0.575109D+00
      2  -0.473863D+01 -0.941102D+00 -0.390485D+01  0.937109D+01  0.515738D+00
      3  -0.941102D+00 -0.105036D+01 -0.575109D+00  0.515738D+00  0.126618D+01
               151           152           153           154           155 
      1  -0.107938D+01  0.788187D+00 -0.515650D+00  0.499194D+01  0.323200D+01
      2   0.788187D+00 -0.151451D+01  0.116404D+01  0.323200D+01  0.347979D+01
      3  -0.515650D+00  0.116404D+01  0.826825D+00  0.349705D+01  0.201587D+01
               156           157           158           159           160 
      1   0.349705D+01  0.199135D+01  0.290740D+01  0.129591D+01  0.328932D+01
      2   0.201587D+01  0.290740D+01  0.378414D+01  0.247001D+01  0.194576D+01
      3   0.318457D+01  0.129591D+01  0.247001D+01  0.251306D+01  0.306452D+01
               161           162           163           164           165 
      1   0.194576D+01  0.306452D+01 -0.619485D+01 -0.213878D+01 -0.425782D+01
      2   0.277377D+01  0.328749D+01 -0.213878D+01 -0.256022D+01 -0.141674D+01
      3   0.328749D+01  0.461136D+01 -0.425782D+01 -0.141674D+01 -0.405254D+01
               166           167           168           169           170 
      1  -0.629516D+00 -0.109873D+01 -0.221512D+00 -0.384361D+01 -0.947791D+00
      2  -0.109873D+01 -0.400799D+00 -0.441152D+00 -0.947791D+00 -0.105466D+01
      3  -0.221512D+00 -0.441152D+00 -0.471355D+00 -0.319292D+01 -0.189306D+01
               171           172           173           174           175 
      1  -0.319292D+01 -0.865553D+00 -0.140408D+01  0.513617D-02 -0.117363D+01
      2  -0.189306D+01 -0.140408D+01 -0.123190D+01  0.598560D+00 -0.102669D+01
      3  -0.436430D+01  0.513617D-02  0.598560D+00 -0.573371D+00  0.478547D+00
               176           177           178           179           180 
      1  -0.102669D+01  0.478547D+00  0.785912D+00  0.105144D+01 -0.469230D+00
      2  -0.695402D+01  0.286393D+01  0.105144D+01  0.546752D+01 -0.267725D+01
      3   0.286393D+01 -0.231335D+01 -0.469230D+00 -0.267725D+01  0.361269D+01
               181           182           183           184           185 
      1   0.416783D+01 -0.209534D+01 -0.288092D+01 -0.138212D+01  0.173676D+01
      2  -0.209534D+01  0.334936D+01  0.206878D+01  0.173676D+01 -0.224613D+01
      3  -0.288092D+01  0.206878D+01  0.301102D+01  0.118109D+01 -0.106163D+01
               186           187           188           189           190 
      1   0.118109D+01 -0.272840D+01  0.137693D+01  0.190183D+01  0.103737D+01
      2  -0.106163D+01  0.137693D+01 -0.190512D+01 -0.252365D+01  0.103264D+01
      3  -0.154733D+01  0.190183D+01 -0.252365D+01 -0.390517D+01 -0.111761D+01
               191           192           193           194           195 
      1   0.103264D+01 -0.111761D+01  0.208156D+01  0.532328D+00 -0.612255D+00
      2   0.376906D+00 -0.312138D+00  0.532328D+00  0.116211D+01 -0.178257D+01
      3  -0.312138D+00  0.161168D+01 -0.612255D+00 -0.178257D+01  0.255717D+01
               196           197           198           199           200 
      1  -0.255282D+01 -0.199585D+00  0.246571D+01  0.141167D+01 -0.146482D+01
      2  -0.199585D+00 -0.217662D+01  0.215213D+01 -0.146482D+01  0.150022D+01
      3   0.246571D+01  0.215213D+01 -0.671611D+01  0.104299D+00  0.318858D+00
               201           202           203           204           205 
      1   0.104299D+00 -0.345970D+01  0.356249D+01  0.731773D+00  0.174412D+00
      2   0.318858D+00  0.356249D+01 -0.967503D+01 -0.158635D+01  0.473543D+00
      3   0.441720D+00  0.731773D+00 -0.158635D+01 -0.139244D+01  0.907851D+00
               206           207           208           209           210 
      1   0.473543D+00  0.907851D+00  0.896925D+01  0.126197D+01  0.340257D+01
      2  -0.131923D+01 -0.995920D+00  0.126197D+01  0.134615D+01  0.401698D+00
      3  -0.995920D+00 -0.964415D+00  0.340257D+01  0.401698D+00  0.228104D+01
               211           212           213           214           215 
      1   0.317498D+01  0.182435D+01  0.961473D+00  0.652167D+01  0.550145D+00
      2   0.182435D+01  0.253342D+00  0.493908D+00  0.550145D+00  0.970620D+00
      3   0.961473D+00  0.493908D+00  0.127757D+01  0.324023D+01  0.872324D+00
               216           217           218           219           220 
      1   0.324023D+01 -0.614363D+01  0.247129D-01  0.304728D+01  0.269670D+00
      2   0.872324D+00  0.247129D-01 -0.164787D+01  0.116598D+01 -0.842449D+00
      3   0.277652D+01  0.304728D+01  0.116598D+01 -0.374351D+01  0.432556D+00
               221           222           223           224           225 
      1  -0.842449D+00  0.432556D+00  0.263641D+01  0.460937D+00 -0.205698D+01
      2  -0.671353D+00  0.325088D+00  0.460937D+00  0.436890D+00 -0.132869D+00
      3   0.325088D+00  0.373447D+00 -0.205698D+01 -0.132869D+00  0.343887D+01
               226           227           228           229           230 
      1   0.451396D+01  0.325955D+00  0.425477D+01  0.157380D+01  0.109256D+01
      2   0.325955D+00  0.145291D+01  0.115668D+00  0.109256D+01  0.145188D+00
      3   0.425477D+01  0.115668D+00  0.499237D+01  0.128354D+01  0.799276D+00
               231           232           233           234           235 
      1   0.128354D+01  0.342470D+01  0.297332D+00  0.382818D+01  0.698983D+00
      2   0.799276D+00  0.297332D+00  0.717731D+00  0.656194D+00 -0.142263D+01
      3   0.265271D+01  0.382818D+01  0.656194D+00  0.691073D+01  0.718878D+00
               236           237           238           239           240 
      1  -0.142263D+01  0.718878D+00 -0.174336D+01  0.209390D+01 -0.249411D+00
      2   0.182045D+01 -0.165658D+00  0.209390D+01 -0.111196D+02  0.125470D+01
      3  -0.165658D+00  0.612963D+00 -0.249411D+00  0.125470D+01 -0.178280D+01
               241           242           243 
      1   0.140782D+00  0.322948D+00  0.319569D+00
      2   0.322948D+00 -0.114890D+01 -0.611263D+00
      3   0.319569D+00 -0.611263D+00 -0.422528D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197315D+01  0.134604D+01  0.215334D+01  0.324524D+01 -0.729250D+01
      2   0.121503D+02 -0.247346D+00  0.430805D+01  0.239491D+01 -0.537404D+01
      3   0.130374D+01 -0.826864D+01 -0.263952D+01  0.582653D+00  0.918459D+01
                 6             7             8             9            10 
      1  -0.424798D+01  0.564632D+01  0.450943D+01  0.209877D+01 -0.522709D+01
      2   0.369053D+01 -0.325216D+01  0.410962D+01 -0.330076D+01 -0.367812D+01
      3   0.336105D+01 -0.303676D+01  0.376390D+01 -0.437950D+01 -0.246416D+01
                11            12            13            14            15 
      1  -0.313320D+01  0.127318D+01  0.188037D+01  0.509838D+01 -0.142114D+02
      2  -0.383296D+01  0.229330D+01 -0.440876D+01 -0.400213D+00  0.169814D+01
      3  -0.365232D+01  0.474845D+01  0.881039D+01  0.526804D+00  0.146362D+01
                16            17            18            19            20 
      1  -0.766267D+01 -0.272158D-02 -0.233081D+01  0.555418D+01  0.510547D+01
      2  -0.767260D+01  0.474156D+01 -0.716937D+01  0.654238D+01 -0.154565D+01
      3   0.430496D+01  0.333352D+01  0.270516D+00 -0.438655D+00 -0.528647D+01
                21            22            23            24            25 
      1   0.516467D+01 -0.132665D+01  0.218857D+01  0.723612D+01  0.599289D+01
      2   0.138572D+02 -0.806622D+00 -0.907654D+00 -0.986635D+01  0.484242D+01
      3   0.636410D+00  0.391574D+00 -0.273605D+00 -0.193500D+01  0.124369D+01
                26            27            28            29            30 
      1   0.122639D+02 -0.150216D+01 -0.632145D+01 -0.783640D+01 -0.133733D+01
      2  -0.920243D+01  0.112178D+01 -0.241639D+01 -0.225820D+01  0.606485D+01
      3  -0.220345D+01  0.461856D+00 -0.104893D+02 -0.152382D+02  0.727714D+01
                31            32            33            34            35 
      1  -0.711090D+01 -0.309207D+01 -0.131078D+02 -0.280080D+00 -0.616775D+01
      2  -0.507692D+00  0.597626D+01  0.379089D+01  0.608823D+00  0.273537D+01
      3  -0.433653D+01  0.148796D+02  0.691147D+00  0.656532D+01  0.199428D+01
                36            37            38            39            40 
      1   0.784184D+01  0.495028D+01  0.115952D+01  0.626075D+00  0.311275D+00
      2  -0.515871D+01 -0.721747D+01 -0.134190D+01  0.514531D+01 -0.171200D+01
      3  -0.199487D+01  0.634427D+01 -0.307120D+01 -0.501383D+01  0.719206D+01
                41            42            43            44            45 
      1   0.679702D+01  0.156795D+01 -0.905135D+00  0.997573D+01 -0.927990D+01
      2   0.225105D+01 -0.157032D+01 -0.309215D+01 -0.120206D+01  0.377638D+01
      3  -0.120669D+02 -0.183336D+01 -0.404549D+01 -0.231107D+01 -0.215246D+00
                46            47            48            49            50 
      1   0.392043D+01  0.176270D+01  0.542960D+01  0.416995D+01 -0.145965D+02
      2  -0.336040D+01  0.812474D+01 -0.466606D+01  0.687814D+01 -0.363427D+01
      3   0.767505D-01  0.336603D+01 -0.769066D+01  0.663520D+01  0.319136D+01
                51            52            53            54            55 
      1  -0.486946D+00  0.241449D+01  0.108538D+02  0.152501D+02 -0.635873D+01
      2  -0.868734D+00 -0.122487D+02  0.691068D+00  0.631425D+01  0.320023D+01
      3  -0.281798D+01 -0.812164D+01 -0.319585D+01  0.612559D+00 -0.641358D+01
                56            57            58            59            60 
      1   0.743396D+01 -0.249012D+01  0.583791D+01 -0.711196D+01 -0.791593D+01
      2   0.127805D+01 -0.451938D+01  0.129466D+01 -0.779817D+01 -0.252273D+01
      3   0.398693D+01  0.628038D+01  0.761337D+01  0.148897D+01  0.119480D+01
                61            62            63            64            65 
      1  -0.615250D+00  0.640450D+01  0.147680D+02  0.842103D+01 -0.188027D+01
      2  -0.944005D+01  0.636229D+00  0.958972D+01 -0.276905D+01  0.566552D+01
      3   0.424840D+01 -0.622815D+00  0.299310D+01 -0.170737D+01 -0.110554D+02
                66            67            68            69            70 
      1   0.496870D+01 -0.340194D+01 -0.900860D+01  0.100625D+02  0.421666D+01
      2   0.950567D+01  0.333734D+01  0.245526D+01 -0.467182D+01  0.322543D+01
      3  -0.157071D+02 -0.260112D+01  0.177821D+01  0.930517D+00 -0.129299D+02
                71            72            73            74            75 
      1   0.186022D+02 -0.285792D+01 -0.692673D-01 -0.494245D+00 -0.604215D+01
      2  -0.650272D+01  0.108816D+01  0.351078D+01  0.740594D+00  0.168198D+02
      3  -0.227676D+00 -0.493558D+00 -0.371399D+01 -0.179219D+02 -0.465640D-01
                76            77            78            79            80 
      1  -0.299782D+01  0.294821D+01 -0.243175D+01  0.970739D+00 -0.106295D+01
      2  -0.196936D+01  0.311501D+01  0.421914D+01  0.495924D+01  0.689318D+00
      3  -0.344297D+01 -0.903336D+01  0.253361D+00  0.735864D+00  0.102368D+01
                81            82            83            84            85 
      1  -0.567727D+01 -0.306849D+01  0.567028D-01 -0.211471D+01 -0.280927D+00
      2  -0.194343D+01 -0.146133D+02 -0.102755D+01 -0.609979D+01 -0.243228D+01
      3  -0.310652D+01  0.679590D+01  0.515788D+01  0.406535D+01  0.150289D+02
                86            87            88            89            90 
      1   0.995329D+00 -0.558091D+01 -0.504210D+01 -0.548075D+00  0.374994D+01
      2   0.709999D+01 -0.102280D+02 -0.157764D+02 -0.904559D+01  0.109929D+02
      3  -0.189592D+02 -0.749406D+01  0.564592D+01 -0.691417D+01  0.121662D+02
                91            92            93            94            95 
      1  -0.107410D+02 -0.518883D+01 -0.432198D+01 -0.732324D+01  0.197403D+02
      2  -0.134519D+02 -0.675114D+00  0.160785D+02 -0.459486D-01  0.597499D+01
      3  -0.370097D+01  0.738222D-01  0.109863D+02  0.564460D+01 -0.537546D+01
                96            97            98            99           100 
      1  -0.646822D+01 -0.466364D+01  0.328017D+01 -0.104393D+02  0.535097D+00
      2  -0.162716D+01  0.790777D+01 -0.216099D+01  0.334732D+01  0.777917D+01
      3   0.318944D-01  0.885119D+01 -0.183267D+01  0.601835D+01  0.129752D+01
               101           102           103           104           105 
      1  -0.555037D+01 -0.263136D+01 -0.465272D+00  0.460644D+01 -0.297305D+00
      2  -0.175430D+01 -0.392257D+01 -0.318189D+01  0.167335D+01  0.215103D+01
      3  -0.160643D+01 -0.111448D+01  0.785652D+00  0.370804D+00  0.341048D+00
               106           107           108           109           110 
      1  -0.210998D+01  0.590734D+01  0.389605D+01 -0.421472D+00  0.441159D+01
      2  -0.699132D+01  0.176215D+01  0.404164D+01 -0.132679D+02  0.181272D+01
      3  -0.429756D+00  0.160619D+01  0.775179D+00 -0.380874D+01 -0.207348D+01
               111           112           113           114           115 
      1  -0.333921D+00  0.132329D+01 -0.202430D+01 -0.398954D+00  0.130825D+00
      2  -0.523566D+01  0.280300D+01 -0.198784D+01  0.222918D+01 -0.643675D+01
      3  -0.205288D+01  0.177831D+01  0.217985D+00  0.649703D+00 -0.189461D+01
               116           117           118           119           120 
      1   0.202818D+01  0.558576D+00 -0.373357D+00  0.366308D+01  0.339786D+01
      2   0.181947D+01 -0.421612D+01 -0.238305D+01  0.275773D+01 -0.127552D-02
      3  -0.544215D+00 -0.171771D+01 -0.595584D+01  0.756546D+01 -0.214680D+01
               121           122           123           124           125 
      1   0.227548D+01 -0.642595D+01 -0.511903D+01  0.112337D+01  0.670479D-01
      2   0.256101D+01 -0.411520D+01  0.563124D+00 -0.171777D+01  0.112688D+01
      3   0.916967D+01 -0.121486D+02  0.171289D+01 -0.117394D+01  0.735426D+00
               126           127           128           129           130 
      1  -0.835328D+00  0.332396D+01 -0.109032D+01 -0.554582D+01  0.245406D+00
      2  -0.205719D+00  0.754203D+01  0.173789D+01  0.201642D+01  0.102657D+01
      3  -0.217269D+01  0.177887D+02  0.166627D+01 -0.456344D+01  0.336067D+01
               131           132           133           134           135 
      1   0.707987D+00 -0.965319D+00 -0.325038D+01  0.160603D+01  0.212631D+01
      2   0.738921D+00  0.178143D+00 -0.247478D+01 -0.572835D+00 -0.207092D+00
      3   0.130117D+01 -0.122754D+01 -0.488968D+01 -0.861666D+00  0.370993D+01
               136           137           138           139           140 
      1  -0.152665D+01  0.395319D+00  0.302076D+01  0.417122D+00 -0.161668D+01
      2  -0.151060D+01  0.675713D+00  0.149012D+01  0.705030D+00 -0.178431D+00
      3   0.437222D+00 -0.243251D+01  0.906284D+00 -0.923773D-01 -0.156131D+01
               141           142           143           144           145 
      1   0.453343D+01  0.299592D+01  0.176324D+01 -0.206758D+02  0.395578D+01
      2   0.256301D+01 -0.353097D+01 -0.141513D+01 -0.119183D+02  0.402557D+01
      3   0.119209D+01  0.292912D+01  0.233333D+01 -0.281803D+01 -0.153541D+01
               146           147           148           149           150 
      1  -0.786551D+01  0.167591D+00 -0.492414D+01  0.131649D+02 -0.276545D+01
      2  -0.413959D+01  0.263637D+01 -0.449725D+01  0.637570D+01 -0.125897D+01
      3  -0.249342D+01 -0.101835D+01  0.448239D+01  0.533490D+01 -0.447628D+00
               151           152           153           154           155 
      1   0.145255D+01 -0.391631D+01  0.588842D+00 -0.246783D+01  0.131614D+01
      2   0.114578D+01 -0.220515D+01  0.657086D+00 -0.215823D+01 -0.694508D+00
      3  -0.144369D+01 -0.131328D+01  0.378609D+00  0.603692D+01 -0.427515D+00
               156           157           158           159           160 
      1  -0.412079D+01 -0.496950D+00 -0.201140D+00 -0.450450D+01 -0.228181D+01
      2   0.197639D+01 -0.168635D+01 -0.278635D+00  0.159470D+01 -0.225514D+01
      3   0.343614D+01  0.341469D+01  0.804007D+00  0.598832D+00  0.446517D+01
               161           162           163           164           165 
      1   0.202338D+00 -0.481694D+01 -0.527564D+01  0.176401D+01 -0.693207D+01
      2   0.127973D+01  0.253229D+01 -0.638414D+01 -0.117569D+01  0.169026D+00
      3  -0.701219D+00  0.169493D+01  0.128114D+02 -0.287106D+00  0.774657D+01
               166           167           168           169           170 
      1   0.167821D+00 -0.255171D+00 -0.163080D+01 -0.539981D+01 -0.183281D+00
      2  -0.617285D+00 -0.115009D+01  0.142835D-01 -0.438915D+01 -0.796623D-01
      3   0.164597D+01  0.177253D+01  0.699835D+00  0.802592D+01  0.357299D+00
               171           172           173           174           175 
      1  -0.633438D+01  0.158610D+01  0.250464D+01 -0.159965D+01  0.245775D+01
      2  -0.162461D+00 -0.656050D+00 -0.199089D+01  0.133223D+01 -0.722688D+00
      3   0.569593D+01  0.103586D+01  0.103168D+01 -0.127340D-01  0.433685D+01
               176           177           178           179           180 
      1   0.134554D+02 -0.116882D+02 -0.139472D+01 -0.106730D+02  0.134643D+02
      2  -0.321285D+01  0.249735D+01 -0.428909D+00  0.312319D+01 -0.386540D+01
      3  -0.228494D+01  0.776863D+00 -0.284289D+01  0.166673D+01 -0.113168D+01
               181           182           183           184           185 
      1  -0.319276D+01 -0.187883D+01  0.448166D+01  0.412706D+00  0.596839D+00
      2   0.873430D+01 -0.344318D+01 -0.322137D+01 -0.257258D+01  0.237404D+01
      3  -0.120691D+02  0.373422D+01  0.673075D+01  0.510089D+01 -0.365966D+01
               186           187           188           189           190 
      1  -0.331870D+01  0.214521D+01 -0.494382D+00 -0.454583D+01 -0.112137D+01
      2   0.159881D+01 -0.607002D+01  0.282789D+01  0.337083D+01 -0.236426D+01
      3  -0.283056D+01  0.707619D+01 -0.251394D+01 -0.503571D+01 -0.274855D+01
               191           192           193           194           195 
      1  -0.617849D+00  0.681141D+00 -0.585025D-01 -0.272596D+01  0.155711D+01
      2  -0.268966D+00  0.396085D+01  0.526545D+00 -0.527144D+01  0.799911D+01
      3  -0.200470D+01  0.153131D+01 -0.373587D+00 -0.512641D+01  0.578041D+01
               196           197           198           199           200 
      1   0.100779D+01  0.517725D+01 -0.438265D+01  0.402207D+00 -0.594535D+00
      2   0.125385D+01  0.704188D+01 -0.190204D+02  0.355070D+00  0.323978D+00
      3   0.708626D+00  0.759685D+01 -0.758326D+01  0.306680D+01 -0.400685D+01
               201           202           203           204           205 
      1   0.578759D+00  0.265307D-01  0.164605D+01 -0.387255D+01  0.415685D+00
      2   0.194301D+01  0.860018D+00 -0.403527D+01 -0.478632D+01  0.100580D+01
      3  -0.788719D+00 -0.278416D+01  0.244245D+02  0.386774D+01 -0.862288D+00
               206           207           208           209           210 
      1   0.759128D+00 -0.826058D+00  0.213739D+01  0.107350D+01  0.103502D+01
      2  -0.218046D+01 -0.259470D+01  0.939457D+01  0.186336D+01  0.978042D+01
      3   0.392024D+01  0.196912D+01 -0.792589D+01 -0.692246D+01 -0.330743D+01
               211           212           213           214           215 
      1   0.896820D+00  0.801460D+00 -0.316273D+00  0.245535D+01  0.192930D+01
      2   0.259335D+01  0.129387D+01  0.428009D+01  0.670167D+01  0.245320D+01
      3  -0.460965D+01 -0.224516D+01 -0.158697D+01 -0.472157D+01 -0.431667D+01
               216           217           218           219           220 
      1   0.101201D+01  0.517724D+01 -0.395185D+01 -0.266502D+01 -0.197895D+01
      2   0.892606D+01  0.184220D+02 -0.584552D+00 -0.632206D+01 -0.780332D+00
      3  -0.410418D+01  0.963969D+01 -0.199944D+01 -0.424084D+01  0.651973D+00
               221           222           223           224           225 
      1   0.212124D-02  0.183082D+00 -0.231378D+01  0.214618D+01  0.349440D+01
      2   0.240157D+01 -0.399303D+00 -0.916134D+01 -0.573009D+00  0.542879D+01
      3   0.152091D+01 -0.826615D+00 -0.404390D+01  0.239794D+00  0.262765D+01
               226           227           228           229           230 
      1   0.593523D+01  0.479676D+01  0.605033D+01  0.339361D+01  0.195274D+01
      2  -0.576060D+01 -0.113044D+01 -0.796328D+00 -0.242630D+01 -0.103323D+01
      3  -0.485515D+01 -0.387899D+01 -0.455677D+01 -0.167982D+01 -0.167631D+01
               231           232           233           234           235 
      1   0.335468D+01  0.513377D+01  0.486873D+01  0.923892D+01 -0.170699D+01
      2   0.701464D+00 -0.651242D+01  0.205630D-01  0.433797D-01 -0.107440D-01
      3  -0.202023D+01 -0.441971D+01 -0.226990D+01 -0.502082D+01  0.308999D+00
               236           237           238           239           240 
      1   0.329276D+01  0.110624D+01  0.364974D+01 -0.212720D+02 -0.435692D+01
      2   0.205150D+01  0.597030D+00  0.338677D+01 -0.235267D+01 -0.196927D+01
      3  -0.100912D+01 -0.365966D+00  0.375396D+01  0.849897D+01 -0.873387D+00
               241           242           243 
      1   0.700713D+00 -0.224230D+01 -0.266278D+01
      2  -0.659695D+00 -0.802502D+00 -0.112062D+01
      3   0.554092D-01  0.125738D+01  0.399848D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.127140D+02  0.423111D+01  0.168622D+02  0.544394D+01  0.986245D+01
      2  -0.680130D+00 -0.286245D+01 -0.107819D+02 -0.451971D+01 -0.244150D+01
      3   0.133941D+02 -0.136866D+01 -0.608026D+01 -0.924227D+00 -0.742096D+01
      4  -0.813028D+00  0.479365D+01 -0.614391D+01  0.690574D+01 -0.151353D+02
      5   0.147573D+02 -0.128057D+01  0.875456D+01  0.103578D+01  0.484298D+00
      6  -0.939823D+01  0.272994D+01 -0.170545D+01  0.360018D+01 -0.641340D+01
                 6             7             8             9            10 
      1  -0.492300D+01  0.208583D+02 -0.302542D+01  0.111700D+02  0.228360D+01
      2  -0.430972D+01 -0.110386D+02 -0.192282D+01 -0.536735D+01 -0.136814D+01
      3   0.923272D+01 -0.981973D+01  0.494825D+01 -0.580263D+01 -0.915466D+00
      4  -0.749532D+00 -0.548120D+01 -0.499022D+00  0.241201D+01  0.745844D+01
      5   0.731427D+01  0.111988D+02  0.637137D+01 -0.271155D+01 -0.351095D+01
      6  -0.455660D+01 -0.204875D+01 -0.536507D+01  0.296420D+01  0.907877D+01
                11            12            13            14            15 
      1   0.591722D+01  0.942414D+00  0.103957D+02 -0.868907D+00 -0.167103D+02
      2  -0.227341D+01  0.532192D+01 -0.660722D-01  0.917006D+01 -0.357531D+01
      3  -0.364382D+01 -0.626434D+01 -0.103296D+02 -0.830115D+01  0.202856D+02
      4   0.427656D+01  0.415728D+01  0.159325D+00  0.232218D+01 -0.166725D+01
      5  -0.199408D+01  0.536917D+01 -0.308000D+01 -0.247899D+01 -0.447062D+01
      6  -0.175335D+01  0.903773D+00 -0.296641D+00  0.399480D+01 -0.487621D+01
                16            17            18            19            20 
      1  -0.184308D+02 -0.857157D+01 -0.138388D+01  0.835524D+01 -0.365475D+01
      2   0.680411D+01 -0.402224D+01  0.427754D+00  0.151749D+02 -0.131168D+02
      3   0.116267D+02  0.125938D+02  0.956123D+00 -0.235302D+02  0.167716D+02
      4   0.778033D+01 -0.546792D+01  0.314193D+01  0.534851D+01 -0.366682D+01
      5   0.253677D+01 -0.248345D+00 -0.522615D+00 -0.119254D+02  0.374056D+01
      6   0.152064D-01  0.792495D+00  0.130223D+02  0.544064D+01 -0.105289D+01
                21            22            23            24            25 
      1  -0.111016D+02 -0.150192D+02 -0.761634D+01  0.179407D+02 -0.210056D+01
      2  -0.588354D+01 -0.870717D+01 -0.728287D+01  0.103292D+01 -0.742014D+01
      3   0.169851D+02  0.237264D+02  0.148992D+02 -0.189737D+02  0.952070D+01
      4   0.396039D+01 -0.306898D+01 -0.394937D+01 -0.244386D+01  0.189232D+01
      5  -0.259121D+02  0.690315D+01  0.340545D+01  0.134866D+02 -0.182366D+02
      6   0.122785D+02 -0.366346D+01 -0.521775D+01  0.807442D+01  0.942892D+01
                26            27            28            29            30 
      1   0.809333D+01  0.460932D+01 -0.612132D+01 -0.187639D+02  0.712238D+01
      2   0.123240D+01  0.155230D+02 -0.796244D+01  0.299831D+02  0.128816D+01
      3  -0.932573D+01 -0.201324D+02  0.140838D+02 -0.112191D+02 -0.841054D+01
      4  -0.205816D+01  0.460955D+01 -0.226539D+02 -0.149470D+02  0.152380D+02
      5   0.961962D+01  0.408833D+01  0.147425D+02  0.968539D+01 -0.372303D+01
      6   0.527296D+01 -0.559299D+01  0.185828D+02 -0.138699D+01 -0.625702D+01
                31            32            33            34            35 
      1  -0.123174D+02  0.195224D+02 -0.373876D+00  0.631158D+01  0.134226D+01
      2   0.212241D+02 -0.285258D+02  0.110077D+02  0.664846D+00  0.914506D+01
      3  -0.890672D+01  0.900339D+01 -0.106338D+02 -0.697642D+01 -0.104873D+02
      4  -0.491928D+01  0.148590D+02  0.246466D+01  0.131977D+02  0.418441D+01
      5   0.383931D+01 -0.416129D+01  0.178799D+00 -0.525199D+01  0.539935D+00
      6  -0.182831D+01  0.113787D+02  0.172359D+01 -0.414305D+01  0.286837D+01
                36            37            38            39            40 
      1  -0.927474D+01  0.738806D+00  0.498562D+01 -0.294321D+00  0.338044D+01
      2   0.742292D+01  0.201224D+01 -0.112667D+02 -0.416423D+01 -0.717850D+01
      3   0.185181D+01 -0.275104D+01  0.628106D+01  0.445855D+01  0.379806D+01
      4   0.323180D+01  0.128788D+01 -0.922845D+01 -0.141715D+02 -0.841662D+01
      5  -0.178634D+01 -0.655535D+01 -0.103269D+02 -0.118875D+02 -0.571793D+01
      6  -0.115187D+02 -0.157370D+02 -0.137207D+02 -0.477836D+01 -0.100907D+02
                41            42            43            44            45 
      1  -0.999513D+01  0.854979D-01 -0.365544D+01 -0.118254D+01  0.345120D+01
      2   0.135963D+02 -0.103741D+01  0.360853D+00 -0.110804D+01 -0.100313D+02
      3  -0.360112D+01  0.951911D+00  0.329459D+01  0.229058D+01  0.658012D+01
      4  -0.363318D+01 -0.646615D+01 -0.116160D+02 -0.651498D+01 -0.142576D+02
      5  -0.676519D+01 -0.900537D+01 -0.988299D+01 -0.115320D+02 -0.709076D+01
      6   0.477675D+00 -0.107463D+02 -0.790359D+01 -0.142256D+02  0.254345D+01
                46            47            48            49            50 
      1  -0.723990D+02 -0.942465D+01  0.464119D+01 -0.246130D+02  0.108830D+01
      2   0.341871D+02 -0.218232D+01 -0.448763D+01  0.115940D+02 -0.533765D+01
      3   0.382119D+02  0.116070D+02 -0.153564D+00  0.130190D+02  0.424936D+01
      4  -0.179635D+02 -0.145870D+02  0.252340D+01 -0.129968D+01 -0.611651D+01
      5   0.783283D+01  0.521571D+01 -0.139078D+02  0.395854D+01  0.635780D+00
      6   0.487580D+00  0.225915D+01 -0.708919D+01  0.430011D+01 -0.577150D+01
                51            52            53            54            55 
      1   0.158916D+02  0.107728D+01  0.126279D+02 -0.120792D+01  0.331473D+01
      2  -0.413048D+00  0.234452D+01 -0.692479D+01 -0.151971D+01 -0.892573D+01
      3  -0.154785D+02 -0.342180D+01 -0.570311D+01  0.272764D+01  0.561100D+01
      4   0.230620D+01 -0.941966D+00  0.529577D+01 -0.366270D+01  0.285524D+01
      5  -0.658048D+01  0.377713D+01 -0.133471D+01  0.410458D+00 -0.263458D+01
      6  -0.402451D+01 -0.301559D+00  0.348959D-01 -0.817297D+01  0.509239D+01
                56            57            58            59            60 
      1  -0.942062D+01 -0.853951D+01  0.213448D+01 -0.151825D+01 -0.104482D+02
      2   0.213840D+02  0.231155D+01  0.114920D+02 -0.154627D+02 -0.879556D+00
      3  -0.119634D+02  0.622795D+01 -0.136265D+02  0.169810D+02  0.113277D+02
      4  -0.169755D+02  0.473043D+00 -0.107443D+02  0.233152D+02 -0.120203D+01
      5  -0.208021D+01  0.830858D-01 -0.271105D+00  0.424334D+01 -0.472588D-01
      6   0.119355D+02  0.434998D+01  0.487408D+01  0.609101D+00  0.107435D+02
                61            62            63            64            65 
      1   0.354335D+01 -0.272142D+01  0.142956D+02  0.767707D+01 -0.666475D+01
      2  -0.696169D+01  0.972600D+01  0.194196D+02  0.490406D+01  0.277763D+01
      3   0.341833D+01 -0.700458D+01 -0.337152D+02 -0.125811D+02  0.388713D+01
      4   0.450041D+01 -0.398372D+01  0.809168D+01 -0.579225D+01 -0.126393D+02
      5   0.120794D+01  0.133306D+01  0.177681D+02 -0.107971D+02 -0.106320D+02
      6   0.144335D+01  0.631141D+01 -0.120931D+02 -0.273242D+02  0.924041D+01
                66            67            68            69            70 
      1  -0.118719D+02 -0.665002D+01 -0.108085D+01 -0.300153D+01 -0.994266D+01
      2   0.147688D+02  0.128951D+01 -0.811081D+01  0.222232D+02  0.137034D+02
      3  -0.289690D+01  0.536051D+01  0.919166D+01 -0.192217D+02 -0.376076D+01
      4  -0.245837D+02 -0.909855D+01  0.127552D+01  0.111170D+02 -0.218479D+02
      5  -0.231920D+02 -0.583626D+01  0.876472D+01  0.271350D+00 -0.201729D+02
      6  -0.139185D+01  0.899800D+01  0.170812D+02 -0.868794D+01 -0.124697D+01
                71            72            73            74            75 
      1  -0.713205D+01  0.444256D+01  0.131888D+03  0.178129D+02 -0.509327D+01
      2   0.271414D+02 -0.976283D+01 -0.635229D+02 -0.457220D+01  0.343228D+01
      3  -0.200094D+02  0.532027D+01 -0.683648D+02 -0.132407D+02  0.166100D+01
      4   0.122031D+02 -0.656206D+01  0.232652D+02  0.290790D+02 -0.203575D+01
      5  -0.137380D+01 -0.238034D+01 -0.105713D+02 -0.304970D+01  0.262217D+02
      6  -0.135743D+02 -0.866552D+01 -0.604795D+01 -0.419160D+01  0.453002D+01
                76            77            78            79            80 
      1   0.219635D+02  0.161273D+02 -0.431596D+01  0.308331D+01 -0.290269D+01
      2  -0.935784D+01 -0.436165D+00  0.193683D+01  0.165968D+01  0.131176D+01
      3  -0.126057D+02 -0.156911D+02  0.237914D+01 -0.474299D+01  0.159093D+01
      4   0.307188D+02  0.167854D+02 -0.359136D+01 -0.398870D+01 -0.270559D+01
      5  -0.627316D+01 -0.434689D+01  0.724257D+01  0.259079D+02  0.603300D+01
      6  -0.438961D+01 -0.282387D+01  0.719684D+01  0.311332D+01  0.603429D+01
                81            82            83            84            85 
      1   0.121858D+02 -0.685044D+01 -0.150005D+02 -0.313404D+02 -0.215681D+02
      2  -0.124803D+02  0.654780D+01  0.113439D+02  0.165283D+02  0.184184D+02
      3   0.294540D+00  0.302639D+00  0.365659D+01  0.148120D+02  0.314966D+01
      4   0.504600D+01 -0.128956D+02 -0.864432D+01  0.112992D+01 -0.142300D+02
      5  -0.550177D+01 -0.313999D+02 -0.179445D+01 -0.142600D+02 -0.536521D+01
      6  -0.822836D+00  0.528212D+01  0.125223D+01  0.112657D+01  0.203499D+01
                86            87            88            89            90 
      1  -0.194742D+01 -0.102826D+01 -0.375649D+02 -0.134515D+01 -0.177399D+02
      2  -0.125585D+02 -0.345276D+01  0.190978D+02 -0.355710D+01  0.146035D+02
      3   0.145059D+02  0.448102D+01  0.184671D+02  0.490225D+01  0.313643D+01
      4   0.355682D+02  0.958311D+01 -0.160094D+01  0.917050D+01 -0.131342D+02
      5   0.952213D+01 -0.165593D+02 -0.204447D+02 -0.153282D+02  0.129866D+02
      6  -0.704727D+01  0.156050D+01  0.103836D+01  0.192035D+01 -0.121357D+01
                91            92            93            94            95 
      1   0.140431D+02 -0.295785D+01 -0.121723D+02 -0.491882D+01  0.515751D+01
      2   0.148432D+02  0.111530D+02  0.172278D+02  0.144999D+02 -0.316301D+02
      3  -0.288863D+02 -0.819518D+01 -0.505547D+01 -0.958109D+01  0.264726D+02
      4  -0.771398D+01 -0.276640D+01  0.870045D+01 -0.372858D+01  0.198424D+02
      5  -0.445581D+01 -0.335264D+01 -0.296619D+02 -0.650374D+01 -0.398541D+01
      6   0.645259D+01 -0.336679D+01 -0.456732D+01 -0.547703D+01  0.164864D+02
                96            97            98            99           100 
      1   0.634462D+01 -0.110952D+02  0.780580D+01 -0.112425D+02 -0.218201D+01
      2   0.944443D+01  0.173170D+02  0.120543D+01  0.178427D+02 -0.117136D+02
      3  -0.157891D+02 -0.622182D+01 -0.901123D+01 -0.660024D+01  0.138956D+02
      4   0.220584D+01  0.781657D+01  0.515910D+01 -0.354201D+01 -0.159985D+01
      5  -0.125790D+02 -0.277405D+02 -0.928240D+01 -0.119750D+02 -0.131617D+02
      6   0.983046D+01 -0.203555D+01  0.114775D+02 -0.115770D+02 -0.231747D-02
               101           102           103           104           105 
      1  -0.183011D+00  0.924308D+01  0.383700D+01 -0.354028D+01 -0.103550D+02
      2   0.507899D+01  0.144488D+02  0.443065D+01 -0.192981D+01 -0.816243D+01
      3  -0.489598D+01 -0.236919D+02 -0.826766D+01  0.547009D+01  0.185174D+02
      4   0.278816D+01 -0.115044D+00  0.211378D+01 -0.135641D+01 -0.134856D+01
      5   0.288460D+01  0.184701D+02  0.354964D+01 -0.470168D+01 -0.579672D+01
      6  -0.567523D+01 -0.154456D+01 -0.304417D+01  0.667313D+01  0.712400D+01
               106           107           108           109           110 
      1   0.554110D+01 -0.324563D+01 -0.212734D+02  0.482128D+01  0.255318D+01
      2   0.985173D+01 -0.453575D+01 -0.269514D+02 -0.151692D+02  0.108666D+01
      3  -0.153928D+02  0.778138D+01  0.482248D+02  0.103479D+02 -0.363985D+01
      4  -0.221187D+00 -0.170074D+01 -0.160721D+01 -0.114487D+02  0.701650D+01
      5   0.147943D+02 -0.436047D+01 -0.174559D+02  0.282097D+02 -0.596310D+01
      6  -0.146471D+01  0.692666D+01  0.196047D+01 -0.912566D+01  0.922389D+01
               111           112           113           114           115 
      1  -0.322798D+01  0.171227D+01 -0.186414D+01  0.239553D+01 -0.214664D+01
      2  -0.126687D+02  0.153588D+01  0.200579D+01  0.395625D+00 -0.757809D+01
      3   0.158967D+02 -0.324815D+01 -0.141649D+00 -0.279115D+01  0.972473D+01
      4  -0.844102D+01  0.717638D+01 -0.306652D+01  0.422326D+01 -0.518680D+01
      5   0.247712D+02 -0.563084D+01  0.508358D+01 -0.586776D+01  0.165517D+02
      6  -0.111236D+02  0.655003D+01 -0.654168D+01  0.839627D+01 -0.721752D+01
               116           117           118           119           120 
      1   0.186405D+01 -0.829610D+01 -0.354619D+01  0.146436D+02 -0.450204D+01
      2   0.379861D-01 -0.144219D+02  0.108737D+02 -0.263537D+02  0.297852D+01
      3  -0.190203D+01  0.227180D+02 -0.732748D+01  0.117101D+02  0.152352D+01
      4   0.262467D+01 -0.612917D+01 -0.711286D+01  0.140887D+02 -0.369818D+01
      5  -0.486180D+01  0.164304D+02  0.152146D+01 -0.456165D+01  0.278798D+01
      6   0.604030D+01 -0.923655D+01 -0.658909D+01  0.102017D+02 -0.616051D+01
               121           122           123           124           125 
      1   0.865150D+01 -0.368511D+02  0.718694D+01 -0.161051D+01  0.434576D+01
      2  -0.143209D+02  0.667111D+02 -0.934287D+01  0.260548D-01 -0.408756D+01
      3   0.566936D+01 -0.298600D+02  0.215593D+01  0.158446D+01 -0.258198D+00
      4   0.114405D+02 -0.100347D+02  0.669218D+00 -0.214606D+01  0.323283D+00
      5  -0.385288D+01  0.302347D+01 -0.825936D+00  0.255077D+01 -0.749912D+00
      6   0.440729D+01 -0.243735D+02  0.131946D+02 -0.297326D+01  0.118154D+02
               126           127           128           129           130 
      1  -0.583801D+01  0.224196D+02  0.313922D+01 -0.208703D+01  0.194873D+01
      2   0.573662D+01 -0.382892D+01  0.627388D+01  0.957356D+00  0.339663D+01
      3   0.101391D+00 -0.185907D+02 -0.941309D+01  0.112968D+01 -0.534536D+01
      4  -0.281848D+01  0.375392D+02  0.231932D+02 -0.132620D+02  0.146130D+02
      5   0.129568D+01 -0.227504D+02 -0.102523D+02  0.128506D+02 -0.519500D+01
      6  -0.362690D+01 -0.166798D+02 -0.115099D+02  0.130857D+02 -0.645268D+01
               131           132           133           134           135 
      1  -0.132502D+01  0.822255D+00 -0.277540D+01  0.978779D+00  0.118343D+01
      2   0.969813D+01 -0.358328D+01  0.240201D+01 -0.317388D+01 -0.408668D+01
      3  -0.837311D+01  0.276103D+01  0.373391D+00  0.219510D+01  0.290325D+01
      4   0.104596D+02 -0.532465D+01 -0.108607D+02 -0.672686D+01  0.844191D+01
      5  -0.496972D+01  0.337198D+01  0.127449D+02  0.520209D+01 -0.858470D+01
      6  -0.865177D+01  0.529379D+01  0.100067D+02  0.779432D+01 -0.811537D+01
               136           137           138           139           140 
      1  -0.144403D+01  0.151473D+01  0.226743D+00  0.253002D+01 -0.381501D+01
      2  -0.458484D+01 -0.164507D+01  0.518019D+01 -0.347148D+01  0.115247D+01
      3   0.602888D+01  0.130338D+00 -0.540693D+01  0.941457D+00  0.266254D+01
      4  -0.115495D+01  0.521791D+01  0.427957D+01  0.150313D+01 -0.298175D+01
      5  -0.553054D+01  0.144496D+01  0.122715D+02 -0.256567D+01 -0.258966D+01
      6   0.241553D+01 -0.284624D+01 -0.325397D+01 -0.134115D+01  0.196552D+01
               141           142           143           144           145 
      1   0.224504D+00 -0.185506D+01 -0.629252D+01 -0.291667D+02  0.713604D+01
      2   0.708743D+01  0.630213D+01  0.118502D+01 -0.271556D+02  0.674269D+01
      3  -0.731194D+01 -0.444706D+01  0.510750D+01  0.563224D+02 -0.138787D+02
      4  -0.148010D+01  0.450061D+01 -0.363259D+01 -0.850238D+01 -0.200805D+02
      5   0.402874D+01  0.111953D+02 -0.353894D+01 -0.252800D+02 -0.458060D+01
      6   0.524818D+01 -0.434544D+01  0.103463D+02  0.253431D+02  0.432257D+01
               146           147           148           149           150 
      1   0.959914D+00  0.220592D+01 -0.487367D+00 -0.154873D+02 -0.195528D+01
      2  -0.143858D+02 -0.173386D+01 -0.124454D+02  0.420411D+02  0.143111D+01
      3   0.134258D+02 -0.472060D+00  0.129328D+02 -0.265538D+02  0.524165D+00
      4   0.260619D+02  0.377505D+01  0.214580D+02 -0.348780D+02 -0.315738D+01
      5   0.683685D+01  0.487669D+01  0.524863D+01 -0.516678D+01 -0.390353D+01
      6  -0.826849D+01 -0.504792D+01 -0.675497D+01  0.142928D+02  0.783224D+01
               151           152           153           154           155 
      1   0.300599D+01 -0.332150D+00 -0.451895D+01  0.704395D+01 -0.936827D+00
      2   0.980793D+00 -0.690051D+01  0.196364D+01 -0.791393D+00  0.696631D+01
      3  -0.398679D+01  0.723266D+01  0.255531D+01 -0.625256D+01 -0.602948D+01
      4  -0.458764D+01  0.532591D+01 -0.493551D+01  0.198630D+02  0.184138D+02
      5   0.138148D+01 -0.296911D+01 -0.160577D+01  0.173634D+02  0.103959D+02
      6  -0.247384D+01  0.537775D+01  0.249009D+01  0.136386D+02  0.117590D+02
               156           157           158           159           160 
      1   0.118464D+01 -0.181289D+01 -0.651352D+01 -0.446426D+01  0.947062D+00
      2  -0.146483D+01  0.656286D+01  0.135202D+02  0.534001D+01 -0.189406D+01
      3   0.280186D+00 -0.474997D+01 -0.700664D+01 -0.875750D+00  0.946993D+00
      4   0.132947D+02  0.151052D+02  0.155390D+02  0.958212D+01  0.122266D+02
      5   0.151135D+02  0.743912D+01  0.928051D+01  0.728187D+01  0.148519D+02
      6   0.120894D+02  0.958547D+01  0.143119D+02  0.151763D+02  0.117826D+02
               161           162           163           164           165 
      1  -0.531628D+01 -0.689441D+01  0.110594D+02 -0.253812D+01  0.168344D+01
      2   0.460733D+01 -0.355174D+00 -0.118117D+02  0.612878D+01 -0.101691D+02
      3   0.708950D+00  0.724959D+01  0.752301D+00 -0.359066D+01  0.848565D+01
      4   0.108807D+02  0.130639D+02  0.245161D+02  0.145112D+02  0.172742D+02
      5   0.969811D+01  0.163638D+02  0.257993D+02  0.877688D+01  0.224760D+02
      6   0.175832D+02  0.198934D+02  0.173364D+02  0.105063D+02  0.161629D+02
               166           167           168           169           170 
      1  -0.946439D+00 -0.595480D+00 -0.113570D+01  0.294910D+01 -0.274101D+01
      2   0.367525D+01  0.244433D+01  0.138662D+01 -0.961833D+01  0.161014D+00
      3  -0.272882D+01 -0.184885D+01 -0.250921D+00  0.666922D+01  0.258000D+01
      4   0.753220D+01  0.543749D+01  0.342102D+01  0.155873D+02  0.599516D+01
      5   0.257619D+01  0.405744D+01  0.156495D+01  0.196454D+02  0.553440D+01
      6   0.445941D+01  0.284283D+01  0.635647D+01  0.121428D+02  0.121487D+02
               171           172           173           174           175 
      1  -0.480257D+01 -0.722815D+00 -0.950961D-01  0.707081D+00 -0.309129D+00
      2  -0.822132D+01  0.362668D+01  0.565753D+01 -0.360512D+01  0.547254D+01
      3   0.130239D+02 -0.290386D+01 -0.556244D+01  0.289804D+01 -0.516341D+01
      4   0.122494D+02  0.514735D+01  0.102540D+02 -0.163274D+01  0.971069D+01
      5   0.184587D+02  0.512715D+00  0.527624D+00  0.480087D+01  0.535207D+00
      6   0.176446D+02  0.592270D+00 -0.200301D+01  0.214074D+01 -0.206471D+01
               176           177           178           179           180 
      1  -0.166844D+02  0.561260D+01  0.264064D+00  0.111780D+02 -0.468937D+01
      2   0.426439D+02 -0.176203D+02 -0.456201D+01 -0.290293D+02  0.127282D+02
      3  -0.259595D+02  0.120077D+02  0.429795D+01  0.178513D+02 -0.803882D+01
      4   0.113771D+02 -0.535124D+01 -0.558819D+01 -0.947981D+01  0.465900D+01
      5  -0.304696D+01  0.218213D+01  0.312509D+01  0.272592D+01 -0.350766D+01
      6  -0.835425D+01  0.120459D+02  0.153191D+01  0.104621D+02 -0.155932D+02
               181           182           183           184           185 
      1  -0.368194D+01  0.113819D+02  0.109751D+02  0.606296D+01 -0.953201D+01
      2   0.389957D+00 -0.126492D+02 -0.240673D+01 -0.654867D+01  0.120416D+02
      3   0.329198D+01  0.126729D+01 -0.856840D+01  0.485703D+00 -0.250956D+01
      4  -0.182118D+02  0.110055D+02  0.123717D+02  0.859804D+01 -0.844358D+01
      5  -0.124429D+02  0.667389D+01  0.110272D+02  0.407935D+01 -0.582521D+01
      6   0.144844D+02 -0.156038D+02 -0.162381D+02 -0.890015D+01  0.104309D+02
               186           187           188           189           190 
      1  -0.689901D+01  0.759876D+01 -0.969682D+01 -0.135960D+02  0.676957D+01
      2   0.366654D+01 -0.205881D+01  0.485525D+01  0.968015D+00 -0.617791D+01
      3   0.323247D+01 -0.553995D+01  0.484157D+01  0.126280D+02 -0.591660D+00
      4  -0.658898D+01  0.118192D+02 -0.704610D+01 -0.753243D+01  0.425188D+01
      5  -0.345789D+01  0.107503D+02 -0.363268D+01 -0.725410D+01 -0.599089D+01
      6   0.122308D+02 -0.101416D+02  0.166499D+02  0.201013D+02 -0.121556D+01
               191           192           193           194           195 
      1   0.516030D+01 -0.428978D+01  0.113356D+02 -0.271753D+00 -0.149766D+01
      2  -0.345985D+01  0.518454D+01 -0.742035D+01  0.119976D+01  0.375496D+01
      3  -0.170044D+01 -0.894760D+00 -0.391521D+01 -0.928006D+00 -0.225730D+01
      4   0.350645D+01 -0.248351D+01  0.411576D+01  0.424495D+01 -0.748089D+01
      5  -0.353142D+01  0.128626D+02 -0.496601D+01 -0.734487D+01  0.121985D+02
      6  -0.695065D+00 -0.878246D-01 -0.226449D+00 -0.227693D+01  0.244856D+01
               196           197           198           199           200 
      1  -0.119218D+02  0.912912D-01  0.521606D+01  0.697459D+01 -0.562236D+01
      2   0.904410D+01  0.307859D+01 -0.154392D+02  0.901030D-01 -0.453775D+00
      3   0.287773D+01 -0.316988D+01  0.102232D+02 -0.706469D+01  0.607613D+01
      4  -0.110054D+01 -0.100409D+02  0.843543D+01 -0.870139D+01  0.142855D+02
      5   0.180537D+02  0.971206D+01 -0.322030D+02  0.706303D+00  0.322035D+01
      6  -0.135970D+01  0.397839D+01  0.982565D+00  0.156133D+01 -0.151327D+01
               201           202           203           204           205 
      1   0.136784D+01 -0.122361D+02 -0.381679D+01  0.335000D+00  0.181430D+01
      2  -0.104928D+01 -0.156085D+01  0.259213D+02  0.207315D+01 -0.136839D+01
      3  -0.318563D+00  0.137969D+02 -0.221046D+02 -0.240815D+01 -0.445907D+00
      4   0.280134D+01  0.247079D+02 -0.476510D+02 -0.736459D+01  0.344522D+01
      5   0.404677D+01  0.475581D+01 -0.655083D+01 -0.719350D+01  0.654287D+01
      6  -0.107165D+01 -0.276090D+01  0.878785D+01  0.801071D+01 -0.232709D+01
               206           207           208           209           210 
      1  -0.264496D+00  0.863322D+00  0.595067D+02  0.848909D+01  0.203457D+02
      2   0.227029D+01  0.489605D+00 -0.324618D+02 -0.515473D+01 -0.121754D+02
      3  -0.200579D+01 -0.135293D+01 -0.270449D+02 -0.333436D+01 -0.817036D+01
      4  -0.647664D+01 -0.454981D+01  0.427340D+01  0.101132D+02  0.165790D+01
      5  -0.479379D+01 -0.446802D+01  0.236131D+02  0.319380D+01  0.177371D+02
      6   0.703875D+01  0.285110D+01 -0.216153D+01  0.686951D+00 -0.147967D+01
               211           212           213           214           215 
      1   0.180134D+02  0.713720D+01  0.465814D+01  0.355017D+02  0.327560D+01
      2  -0.104464D+02 -0.168769D+01 -0.255405D+01 -0.205082D+02 -0.194166D+01
      3  -0.756698D+01 -0.544951D+01 -0.210409D+01 -0.149935D+02 -0.133394D+01
      4   0.121129D+02  0.268522D+01  0.374343D+01  0.137394D+01  0.689086D+01
      5   0.693047D+01  0.372714D+01  0.771796D+01  0.238819D+02  0.473706D+01
      6   0.105873D+01  0.189855D+01  0.186527D+01 -0.142783D+01  0.206647D+01
               216           217           218           219           220 
      1   0.148964D+02 -0.661656D+01 -0.490336D+01  0.142476D+02 -0.104766D+01
      2  -0.130247D+02 -0.573362D+01  0.159223D+01  0.446140D+01 -0.578240D+00
      3  -0.187175D+01  0.123502D+02  0.331113D+01 -0.187090D+02  0.162590D+01
      4   0.356104D+01  0.122085D+02  0.289034D+01 -0.628853D+01  0.288704D+01
      5   0.190130D+02 -0.205698D+02  0.366838D-01  0.125179D+02  0.651727D+00
      6  -0.129829D+01 -0.452448D+01 -0.852987D+01  0.104351D+02 -0.414205D+01
               221           222           223           224           225 
      1  -0.275776D+01  0.666017D+00  0.903417D+01  0.155874D+01 -0.107346D+02
      2   0.411368D+01 -0.265319D+01  0.265188D+01 -0.106801D+01 -0.907884D+01
      3  -0.135593D+01  0.198717D+01 -0.116860D+02 -0.490733D+00  0.198134D+02
      4  -0.326407D+00 -0.121823D+01 -0.571633D+01 -0.189306D+01  0.474754D+01
      5  -0.279066D+01  0.296048D+01  0.132701D+02  0.191565D+01 -0.743158D+01
      6  -0.261287D+01  0.271231D+01  0.514707D+01  0.406905D+01 -0.630941D+01
               226           227           228           229           230 
      1   0.103494D+02  0.249247D+01  0.183641D+01  0.390676D+01 -0.413048D+00
      2  -0.208757D+02 -0.466322D+01 -0.211361D+02 -0.811419D+01 -0.381975D+00
      3   0.105264D+02  0.217075D+01  0.192997D+02  0.420743D+01  0.795023D+00
      4  -0.450066D+01  0.502553D+01 -0.524763D+01  0.284739D+01  0.317741D+00
      5   0.283016D+02  0.179671D+01  0.301967D+02  0.905058D+01  0.585365D+01
      6  -0.224013D+01  0.689684D+01 -0.389495D+01  0.453407D+01  0.217867D+01
               231           232           233           234           235 
      1  -0.191436D+01  0.264474D+01 -0.506160D-01 -0.734229D+01 -0.206982D+00
      2  -0.966898D+01 -0.176168D+02 -0.362342D+01 -0.283722D+02  0.226786D+01
      3   0.115833D+02  0.149721D+02  0.367403D+01  0.357145D+02 -0.206088D+01
      4   0.227812D+01 -0.455460D+01  0.257362D+01 -0.294920D+01 -0.561043D+01
      5   0.101608D+02  0.255011D+02  0.281482D+01  0.313208D+02  0.282749D+01
      6   0.430297D+01 -0.219345D+01  0.588493D+01 -0.448901D+01 -0.372208D+01
               236           237           238           239           240 
      1  -0.767030D+00  0.893236D-02 -0.564389D+00 -0.218026D+02  0.563249D+01
      2  -0.556106D+01 -0.190359D+01 -0.650753D+01  0.483301D+02 -0.107476D+01
      3   0.632809D+01  0.189466D+01  0.707192D+01 -0.265275D+02 -0.455773D+01
      4   0.110368D+02 -0.169372D+01  0.127218D+02 -0.246948D+02  0.315117D+01
      5  -0.377138D+01  0.568582D+01 -0.529571D+01  0.664266D+01 -0.367371D+01
      6   0.542526D+01 -0.141062D+01  0.634103D+01 -0.314855D+02  0.119006D+02
               241           242           243 
      1  -0.616046D+00  0.432475D+00 -0.123017D+01
      2  -0.212611D+01  0.471106D+01  0.222526D+01
      3   0.274215D+01 -0.514354D+01 -0.995090D+00
      4   0.129851D+01 -0.240093D+01 -0.150843D+01
      5   0.318205D+01 -0.469636D+00  0.933764D+00
      6  -0.284888D+00  0.437368D+01  0.368434D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.146809D+01      0.373152D+01      0.124470D+02
   x          0.139959D+01      0.355741D+01      0.118662D+02
   y          0.437978D+00      0.111323D+01      0.371333D+01
   z         -0.679413D-01     -0.172690D+00     -0.576030D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130190D+03      0.192922D+02      0.214655D+02
   aniso      0.843415D+01      0.124981D+01      0.139060D+01
   xx         0.134727D+03      0.199645D+02      0.222135D+02
   yx         0.139843D+01      0.207226D+00      0.230570D+00
   yy         0.129804D+03      0.192349D+02      0.214017D+02
   zx        -0.332858D+00     -0.493244D-01     -0.548808D-01
   zy         0.163337D+01      0.242040D+00      0.269306D+00
   zz         0.126040D+03      0.186772D+02      0.207812D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.135134D+03      0.200248D+02      0.222806D+02
   aniso      0.103283D+02      0.153049D+01      0.170290D+01
   xx         0.140922D+03      0.208824D+02      0.232348D+02
   yx         0.176139D+01      0.261010D+00      0.290413D+00
   yy         0.134103D+03      0.198720D+02      0.221106D+02
   zx        -0.689588D+00     -0.102186D+00     -0.113698D+00
   zy         0.183965D+01      0.272607D+00      0.303317D+00
   zz         0.130377D+03      0.193198D+02      0.214962D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.54114775         -1.18635291          1.46004599
     6          1.24680151         -0.38699774         -0.75559519
     6          2.59316047          1.98059903          0.37331617
     6          0.58306790          3.19657923          2.13202997
     6         -1.73941599          1.48904935          1.72633656
     6         -0.66136345          0.76633565         -2.58171319
     6         -2.69634562          2.02283631         -0.96295777
     6          2.98408504         -2.33271697         -1.90975808
     8         -0.57672363          0.72259733         -4.86168892
     6          0.84897606         -2.07825645          3.82935125
     6         -2.42638242         -3.25193665          0.71355410
     1          4.26342130          1.37467593          1.41467326
     1          3.23928843          3.25435425         -1.11144336
     1          0.17744283          5.15163864          1.62682475
     1          1.19771865          3.19053775          4.09589708
     1         -4.52335992          1.16136432         -1.37067334
     1         -2.84832177          4.02850930         -1.41518628
     1         -3.18299073          1.64816362          3.18509888
     1          4.04862619         -1.51348956         -3.47361861
     1          1.92443754         -3.93547605         -2.65715134
     1          4.33044726         -3.03592853         -0.51514196
     1          2.29540617         -0.76916802          4.47598730
     1          1.75847251         -3.89785925          3.48899424
     1         -0.49707051         -2.33788442          5.37318197
     1         -3.39598317         -2.87948386         -1.06395466
     1         -3.86179570         -3.47285866          2.17983001
     1         -1.46058315         -5.06273044          0.51253614

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.146809D+01      0.373152D+01      0.124470D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.146809D+01      0.373152D+01      0.124470D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.130190D+03      0.192922D+02      0.214655D+02
   aniso      0.843415D+01      0.124981D+01      0.139060D+01
   xx         0.127313D+03      0.188659D+02      0.209911D+02
   yx        -0.231199D+01     -0.342601D+00     -0.381195D+00
   yy         0.128208D+03      0.189984D+02      0.211386D+02
   zx        -0.461974D+00     -0.684575D-01     -0.761693D-01
   zy        -0.491063D+00     -0.727681D-01     -0.809654D-01
   zz         0.135050D+03      0.200123D+02      0.222667D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.135134D+03      0.200248D+02      0.222806D+02
   aniso      0.103283D+02      0.153049D+01      0.170290D+01
   xx         0.131790D+03      0.195292D+02      0.217292D+02
   yx        -0.253657D+01     -0.375881D+00     -0.418224D+00
   yy         0.132307D+03      0.196059D+02      0.218146D+02
   zx        -0.204249D+00     -0.302665D-01     -0.336760D-01
   zy        -0.678442D+00     -0.100535D+00     -0.111860D+00
   zz         0.141304D+03      0.209391D+02      0.232979D+02

 ----------------------------------------------------------------------
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     SCHOPENHAUER'S LAW OF ENTROPY
 IF YOU PUT A SPOONFUL OF WINE IN A BARREL FULL
 OF SEWAGE, YOU GET SEWAGE.
 IF YOU PUT A SPOONFUL OF SEWAGE IN A BARREL FULL
 OF WINE, YOU GET SEWAGE.
 Job cpu time:       0 days  4 hours 42 minutes 59.1 seconds.
 Elapsed time:       0 days  0 hours 35 minutes 25.9 seconds.
 File lengths (MBytes):  RWF=    387 Int=      0 D2E=      0 Chk=     20 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:36:31 2022.
